CFam Chemical Families Database
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You are searching for "CFAMM00094774" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00094774
Family CFFAD678 Gastrin/cholecystokinin type B receptor ligand oligopeptide Ceruletide Family
Superfamily CFSAD574 peptide hormone ligand peptide Ceruletide Lanreotide Superfamily
Class CFCAD85 Class 85
External ID CHEMBL319822 External Source CHEMBL
PubChem CID 44326426 Functional Category Bioactive
Molecule Name (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-[2-[(2R)-2-amino-3-phenylpropanoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
IUPAC Name (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-[2-[(2R)-2-amino-3-phenylpropanoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Synonyms CHEBI:252497
InChi InChI=1S/C34H40N8O6/c1-20(39-32(46)26(35)16-22-11-13-24(43)14-12-22)31(45)38-19-30(44)40-29(17-23-18-37-28-10-6-5-9-25(23)28)34(48)42-41-33(47)27(36)15-21-7-3-2-4-8-21/h2-14,18,20,26-27,29,37,43H,15-17,19,35-36H2,1H3,(H,38,45)(H,39,46)(H,40,44)(H,41,47)(H,42,48)/t20-,26+,27-,29+/m1/s1
InChiKey HFBLBVXHRGLLNP-BVSOOUDJSA-N
Formula C34H40N8O6 Molecular Weight 656.73
Cross Link CHEMBL319822
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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