CFAM Mol ID	CFAMM00330399
Family	CFFBM2099 Pol polyprotein inhibitor benzyl (2S)-2-[[[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-(2-phenylethyl)carbamoyl]amino]-3-methylbutanoate family
Superfamily	CFSBM867 Pol polyprotein and Collagenase 3 Binder Superfamily
Class	CFCBM337 Class 3387
External ID	CHEMBL333312	External Source	CHEMBL
PubChem CID	474351	Functional Category	Bioactive
Molecule Name	AC1LASTR
IUPAC Name	3-benzyl-1-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-1-(2-phenylethyl)urea
Synonyms	CHEBI:298810;3-benzyl-1-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-1-phenethylurea;N-((2S)-3-{(Cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)-N-(2-phenylethyl)[benzylamino]carboxamide
InChi	InChI=1S/C32H41N3O5S/c1-40-30-16-18-31(19-17-30)41(38,39)35(23-28-14-8-9-15-28)25-29(36)24-34(21-20-26-10-4-2-5-11-26)32(37)33-22-27-12-6-3-7-13-27/h2-7,10-13,16-19,28-29,36H,8-9,14-15,20-25H2,1H3,(H,33,37)/t29-/m0/s1
InChiKey	VECYTROZXMZSFL-LJAQVGFWSA-N
Formula	C32H41N3O5S	Molecular Weight	579.75
Cross Link	CHEMBL333312
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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