BioLiP

PDB

BioLiP

PDB CCD ID:

QQ9

Number of entries in BioLiP:

Chemical formula:

C14 H15 N3 O3

InChI:

InChI=1S/C14H15N3O3/c18-13(17-7-1-2-9(8-17)14(19)20)11-4-6-16-12-10(11)3-5-15-12/h3-6,9H,1-2,7-8H2,(H,15,16)(H,19,20)/t9-/m1/s1

InChIKey:

ZNXPXZYKUWUFEH-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c[nH]c2c1c(ccn2)C(=O)N3CCC[C@H](C3)C(=O)O
CACTVS 3.385	OC(=O)[CH]1CCCN(C1)C(=O)c2ccnc3[nH]ccc23
CACTVS 3.385	OC(=O)[C@@H]1CCCN(C1)C(=O)c2ccnc3[nH]ccc23
ACDLabs 12.01	O=C(c1ccnc2[NH]ccc21)N1CCCC(C1)C(=O)O
OpenEye OEToolkits 2.0.7	c1c[nH]c2c1c(ccn2)C(=O)N3CCCC(C3)C(=O)O

Name:

(3R)-1-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid

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).