Compound Search
化合物数据库
基于 PubChem CID 索引,支持名称 / 同义词 / CAS / SMILES 检索。
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HIV-1 protease-IN-2|CHEMBL4452255|BDBM50504885|HY-146888|CS-0439010|N-[(1S,2R)-1-benzyl-2-hydroxy-3-[ CAS 2248124-46-9 PubChem CID 155521603
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 -
(3~{R},4~{R})-1-[(4-methoxyphenyl)methyl]-3-(3-methylbutyl)-3-[4-methylsulfonyl-2-[(2~{S})-1-oxidanylpropan-2-yl]oxy-phenyl]-4-oxidanyl-pyrrolidin-2-one PubChem CID 164946831
COc1ccc(CN2C[C@H](O)[C@@](CCC(C)C)(c3ccc(S(C)(=O)=O)cc3O[C@@H](C)CO)C2=O)cc1 -
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCNc1cccc2c(S(=O)(=O)O)cccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=O)c1ccc(N=Nc2ccc(N(C)C)cc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C -
(3S)-N-[(2S,3R)-3-hydroxy-4-[(4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]morpholine-3-carboxamide CAS 2765293-30-7 PubChem CID 163408816
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1COCCN1)S(=O)(=O)c1ccc(O)cc1 -
3,4-dihydroxy-N-[(2S,3R)-3-hydroxy-4-[[(2R)-2-hydroxypropyl]-[4-(trifluoromethyl)phenyl]sulfonylamino]-1-phenylbutan-2-yl]benzamide CAS 2525173-96-8 PubChem CID 156017282
C[C@@H](O)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 -
(4S)-5-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-oxopentanoic acid CAS 128340-47-6 PubChem CID 15954055
CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](CCCC)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O -
CCCCC(NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(Cc1cnc[nH]1)NC(=O)c1ccccc1N)C(C)C)C(=O)NC(CO)C(N)=O -
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[(2-aminobenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide CAS 133233-38-2 PubChem CID 457124
CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccccc1N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O -
[(2S)-2-[(4R)-2-amino-4-[4-(2-cyclopropyltriazol-4-yl)phenyl]-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazol-1-yl]-2-[4-chloro-3-[2-(difluoromethyl)-1,2,4-triazol-3-yl]phenyl]ethyl] N-[1-(difluoromethyl)cyclopropyl]carbamate;butanedioic acid CAS 2511547-82-1 PubChem CID 165412601
CC(C)(C[C@]1(c2ccc(-c3cnn(C4CC4)n3)cc2)N=C(N)N([C@H](COC(=O)NC2(C(F)F)CC2)c2ccc(Cl)c(-c3ncnn3C(F)F)c2)C1=O)C(F)(F)F.O=C(O)CCC(=O)O -
(2R,3R,4S,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide PubChem CID 5327434
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](CCc1ccccc1)[C@H](O)[C@H](O)[C@@H](CCc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O -
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O -
CC(C)C(NC(=O)N(C)CCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)N(C)CCc1ccccn1)C(C)C -
CC(C)C(NC(=O)N(C)CCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)N(C)CCc1ccccn1)C(C)C -
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O -
CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 -
N-[(1S,2R)-3-[[[4-(Hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]carbamic acid 3,3aalpha,4,5,6,6aalpha-hexahydro-2H-cyclopenta[b]furan-5beta-yl ester CAS 910909-89-6 PubChem CID 9547976
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1C[C@@H]2CCO[C@@H]2C1)S(=O)(=O)c1ccc(CO)cc1 -
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O -
CNc1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccc4c(c3)OCCO4)[C@H](O)[C@@H](O)[C@H]2Cc2ccc3c(c2)OCCO3)c1 -
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCC1CCCN(C)C1)C(C)C -
{1-[(1S,2R,3S)-1-Benzyl-2-hydroxy-3-(3-methyl-2-{[1-(4-methyl-piperazin-1-yl)-methanoyl]-amino}-butanoylamino)-4-phenyl-butylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester PubChem CID 3001462
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N1CCN(C)CC1)C(C)C