CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00048022" in compound.

Total 1 results found.

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 CFAMM00048022
Family CFFAD298 Parathyroid hormone/parathyroid hormone-related peptide receptor ligand peptide Teriparatide Family
Superfamily CFSAD20 Peptide hormone receptor bindng peptide Superfamily
Class CFCAD20 Class 20
External ID CHEMBL315258 External Source CHEMBL
PubChem CID 44322994 Functional Category Bioactive
Molecule Name (2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
IUPAC Name (2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
Synonyms CHEBI:244421
InChi InChI=1S/C35H45N11O6/c1-52-19-30(47)43-29(16-23-18-39-20-42-23)34(51)46-28(14-21-8-3-2-4-9-21)33(50)44-26(12-7-13-40-35(37)38)32(49)45-27(31(36)48)15-22-17-41-25-11-6-5-10-24(22)25/h2-6,8-11,17-18,20,26-29,41H,7,12-16,19H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,37,38,40)/t26-,27-,28-,29-/m0/s1
InChiKey SOPYHFQNBMKJEU-DZUOILHNSA-N
Formula C35H45N11O6 Molecular Weight 715.80
Cross Link CHEMBL315258
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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