CFAM Mol ID	CFAMM00273656
Family	CFFID2681 Substance-P receptor Ligand [sar9,met(o2)11]-sp Family
Superfamily	CFSID1924 Substance-P receptor and Vasopressin V2 receptor Binder Superfamily
Class	CFCID1180 Class 2530
External ID	CHEMBL2372071	External Source	CHEMBL
PubChem CID	163732	Functional Category	Bioactive
Molecule Name	n5-(diaminomethylidene)-l-ornithyl-l-prolyl-l-lysyl-l-prolyl-l-glutaminyl-l-glutaminyl-l-phenylalanyl-l-phenylalanyl-l-prolyl-l-leucyl-l-methioninamide
IUPAC Name	(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
Synonyms	Substance P, pro(9)-;(Pro(9))substance P;AC1Q5IQA;AC1L4TI1;Substance P, proline(9)-;Substance P, 9-L-proline-;104486-69-3;AR-1K5315;NCGC00167227-01
InChi	InChI=1S/C66H102N18O13S/c1-39(2)36-47(58(90)75-43(55(71)87)29-35-98-3)80-62(94)52-24-15-34-84(52)65(97)49(38-41-18-8-5-9-19-41)81-59(91)48(37-40-16-6-4-7-17-40)79-57(89)44(25-27-53(69)85)76-56(88)45(26-28-54(70)86)77-60(92)51-23-14-33-83(51)64(96)46(21-10-11-30-67)78-61(93)50-22-13-32-82(50)63(95)42(68)20-12-31-74-66(72)73/h4-9,16-19,39,42-52H,10-15,20-38,67-68H2,1-3H3,(H2,69,85)(H2,70,86)(H2,71,87)(H,75,90)(H,76,88)(H,77,92)(H,78,93)(H,79,89)(H,80,94)(H,81,91)(H4,72,73,74)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
InChiKey	UFBNSKYNZDUWSN-RZGVDQIZSA-N
Formula	C66H102N18O13S	Molecular Weight	1387.69
Cross Link	CHEMBL2372071
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

48699 visits since 2014 .........

Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore

All rights reserved.