CFam Chemical Families Database
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You are searching for "CFAMM00379339" in compound.

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CFAM Mol ID CFAMM00379339
Family CFFBM7355 Stromelysin-1 and 72 kDa type IV collagenase inhibitor (2R)-2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-4-(4-propylphenyl)butan-2-yl]amino]-6-(1,3-dioxoisoindol-2-yl)hexanoic acid family
Superfamily CFSID1104 Integrin beta-3 Inhibitor Lotrafiban Superfamily
Class CFCID325 Class 1675
External ID CHEMBL294262 External Source CHEMBL
PubChem CID 44301645 Functional Category Bioactive
Molecule Name (3S)-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-methylbutyl]amino]-1-oxopentan-2-yl]amino]-3-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[4-(naphthalene-2-carbonylamino)phenyl]acetyl]amino]pentanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
IUPAC Name (3S)-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-methylbutyl]amino]-1-oxopentan-2-yl]amino]-3-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[4-(naphthalene-2-carbonylamino)phenyl]acetyl]amino]pentanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Synonyms CHEBI:191977
InChi InChI=1S/C43H60N12O8/c1-4-25(2)24-50-39(61)32(11-7-19-48-42(44)45)54-41(63)34(23-36(57)58)55-37(59)26(3)51-40(62)33(12-8-20-49-43(46)47)53-35(56)21-27-13-17-31(18-14-27)52-38(60)30-16-15-28-9-5-6-10-29(28)22-30/h5-6,9-10,13-18,22,25-26,32-34H,4,7-8,11-12,19-21,23-24H2,1-3H3,(H,50,61)(H,51,62)(H,52,60)(H,53,56)(H,54,63)(H,55,59)(H,57,58)(H4,44,45,48)(H4,46,47,49)/t25-,26-,32-,33-,34-/m0/s1
InChiKey UWAQSJWJCXAOOI-LPRIMMJDSA-N
Formula C43H60N12O8 Molecular Weight 873.01
Cross Link CHEMBL294262
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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