Alkynyl-cyanopyrrolidine-2

General

Type : Pyrrolidine, Cyanide

Chemical_Nomenclature : (2S)-2-amino-2-cyclopentyl-1-[(2S,5R)-2-methanimidoyl-5-prop-1-ynylpyrrolidin-1-yl]ethanone

Canonical SMILES : CC#CC1CCC(N1C(=O)C(C2CCCC2)N)C=N

InChI : InChI=1S\/C15H23N3O\/c1-2-5-12-8-9-13(10-16)18(12)15(19)14(17)11-6-3-4-7-11\/h10-14,16H,3-4,6-9,17H2,1H3\/t12-,13-,14-\/m0\/s1

InChIKey : RQLMHWQJWPJQJB-IHRRRGAJSA-N

Other name(s) : 1AD


MW : 261.36

Formula : C15H23N3O

CAS_number :

PubChem : 23586171

UniChem : RQLMHWQJWPJQJB-IHRRRGAJSA-N

Target

Families : Alkynyl-cyanopyrrolidine-2 ligand of proteins in family
DPP4N_Peptidase_S9

Structure :
2GBG

Protein :
ratno-dpp4

References (1)

Title : Crystal structures of DPP-IV (CD26) from rat kidney exhibit flexible accommodation of peptidase-selective inhibitors - Longenecker_2006_Biochemistry_45_7474
Author(s) : Longenecker KL , Stewart KD , Madar DJ , Jakob CG , Fry EH , Wilk S , Lin CW , Ballaron SJ , Stashko MA , Lubben TH , Yong H , Pireh D , Pei Z , Basha F , Wiedeman PE , von Geldern TW , Trevillyan JM , Stoll VS
Ref : Biochemistry , 45 :7474 , 2006
Abstract :
PubMedSearch : Longenecker_2006_Biochemistry_45_7474
PubMedID: 16768443
Gene_locus related to this paper: ratno-dpp4