BioLiP

PDB

BioLiP

PDB CCD ID:

A1A8X

Number of entries in BioLiP:

Chemical formula:

C11 H14 N4 O

InChI:

InChI=1S/C11H14N4O/c16-9-3-1-2-8(9)15-11-7-4-5-12-10(7)13-6-14-11/h4-6,8-9,16H,1-3H2,(H2,12,13,14,15)/t8-,9-/m0/s1

InChIKey:

JREHIIGFZSIFKV-IUCAKERBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1c[nH]c2c1c(ncn2)NC3CCCC3O
CACTVS 3.385	O[C@H]1CCC[C@@H]1Nc2ncnc3[nH]ccc23
ACDLabs 14.52	OC1CCCC1Nc1ncnc2[NH]ccc21
OpenEye OEToolkits 3.1.0.0	c1c[nH]c2c1c(ncn2)N[C@H]3CCC[C@@H]3O
CACTVS 3.385	O[CH]1CCC[CH]1Nc2ncnc3[nH]ccc23

Name:

(1S,2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).