BioLiP

PDB

BioLiP

PDB CCD ID:

EPJ

Number of entries in BioLiP:

143

Chemical formula:

C11 H13 Cl N2

InChI:

InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1

InChIKey:

NLPRAJRHRHZCQQ-IVZWLZJFSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Clc1ccc(cn1)[C@H]2C[C@@H]3CC[C@H]2N3
ACDLabs 10.04	Clc1ncc(cc1)C3CC2NC3CC2
OpenEye OEToolkits 1.5.0	c1cc(ncc1C2CC3CCC2N3)Cl
CACTVS 3.341	Clc1ccc(cn1)[CH]2C[CH]3CC[CH]2N3
OpenEye OEToolkits 1.5.0	c1cc(ncc1[C@H]2C[C@@H]3CC[C@H]2N3)Cl

Name:

EPIBATIDINE;
(2R)-2-(6-CHLOROPYRIDIN-3-YL)-7-AZABICYCLO[2.2.1]HEPTANE

ChEMBL:

CHEMBL298826

DrugBank:

DB07720

ZINC:

ZINC000000402872

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).