CFAM Mol ID	CFAMM00303707
Family	CFFID4178 Somatostatin receptor type 1 and Somatostatin receptor type 2 Ligand Cytotoxinpeptide Conjugate Family
Superfamily	CFSAD806 ostatin receptor 5 Ligand Pasireotide Diaspartate Superfamily
Class	CFCAD546 Class 546
External ID	CHEMBL407051	External Source	CHEMBL
PubChem CID	44388075	Functional Category	Bioactive
Molecule Name	(4R,7S,10R,13S,16R,19S,22S,25S,28R,31R,34S)-34-amino-31-(4-aminobutyl)-25,28-dibenzyl-10,16-bis[(1R)-1-hydroxyethyl]-13-[(4-hydroxy-2-iodophenyl)methyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-20-methyl-6,9,12,15,18,21,24,27,30,33-decaoxo-19-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxylic acid
IUPAC Name	(4R,7S,10R,13S,16R,19S,22S,25S,28R,31R,34S)-34-amino-31-(4-aminobutyl)-25,28-dibenzyl-10,16-bis[(1R)-1-hydroxyethyl]-13-[(4-hydroxy-2-iodophenyl)methyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-20-methyl-6,9,12,15,18,21,24,27,30,33-decaoxo-19-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxylic acid
Synonyms	CHEBI:397882
InChi	InChI=1S/C75H97IN14O16S2/c1-41(2)79-36-47-25-23-46(24-26-47)32-62-71(101)89-64(43(4)93)72(102)84-58(33-48-27-28-50(94)35-52(48)76)69(99)88-63(42(3)92)73(103)86-60(38-91)70(100)87-61(75(105)106)40-108-107-39-53(78)65(95)81-55(22-14-15-29-77)66(96)82-56(30-44-16-8-6-9-17-44)67(97)83-57(31-45-18-10-7-11-19-45)68(98)85-59(74(104)90(62)5)34-49-37-80-54-21-13-12-20-51(49)54/h6-13,16-21,23-28,35,37,41-43,53,55-64,79-80,91-94H,14-15,22,29-34,36,38-40,77-78H2,1-5H3,(H,81,95)(H,82,96)(H,83,97)(H,84,102)(H,85,98)(H,86,103)(H,87,100)(H,88,99)(H,89,101)(H,105,106)/t42-,43-,53-,55-,56-,57+,58+,59+,60+,61+,62+,63-,64-/m1/s1
InChiKey	VXZIIEYCRXJBHN-XCXNQCPUSA-N
Formula	C75H97IN14O16S2	Molecular Weight	1641.69
Cross Link	CHEMBL407051
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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