CFam Chemical Families Database
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You are searching for "CFAMM00330949" in compound.

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CFAM Mol ID CFAMM00330949
Family CFFBM2162 Pol polyprotein inhibitor AC1LAPRV family
Superfamily CFSBM867 Pol polyprotein and Collagenase 3 Binder Superfamily
Class CFCBM337 Class 3387
External ID CHEMBL341317 External Source CHEMBL
PubChem CID 492890 Functional Category Bioactive
Molecule Name AC1LAPS4
IUPAC Name 4-amino-N-[(2R)-2-[(3S,6S,9S)-9-amino-6-butyl-5,8-dioxo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-3-yl]-2-hydroxyethyl]-N-(3-methylbutyl)benzenesulfonamide
Synonyms Macrocycle-containing Compound 9d;4-amino-N-[(2R)-2-[(3S,6S,9S)-9-amino-6-butyl-5,8-dioxo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-3-yl]-2-hydroxyethyl]-N-(3-methylbutyl)benzenesulfonamide;Benzenesulfonamide, 4-amino-N-[(2R)-2-[(7S,10S,13S)-7-amino-10-butyl-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-15,17,18-trien-13-yl]-2-hydroxyethyl]-N-(3-methylbutyl)-
InChi InChI=1S/C33H51N5O6S/c1-4-5-9-29-33(41)37-30(21-24-10-14-26(15-11-24)44-20-7-6-8-28(35)32(40)36-29)31(39)22-38(19-18-23(2)3)45(42,43)27-16-12-25(34)13-17-27/h10-17,23,28-31,39H,4-9,18-22,34-35H2,1-3H3,(H,36,40)(H,37,41)/t28-,29-,30-,31+/m0/s1
InChiKey ICLGGNKOSYUHKP-XHPANXIASA-N
Formula C33H51N5O6S Molecular Weight 645.85
Cross Link CHEMBL341317
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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