BioLiP

PDB

BioLiP

PDB CCD ID:

NCT

Number of entries in BioLiP:

101

Chemical formula:

C10 H14 N2

InChI:

InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1

InChIKey:

SNICXCGAKADSCV-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C[N@@]1CCC[C@H]1c2cccnc2
ACDLabs 10.04	n1cc(ccc1)C2N(C)CCC2
CACTVS 3.341	CN1CCC[C@H]1c2cccnc2
OpenEye OEToolkits 1.5.0	CN1CCCC1c2cccnc2
CACTVS 3.341	CN1CCC[CH]1c2cccnc2

Name:

(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE;
(S)-(-)-NICOTINE;
3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE

ChEMBL:

CHEMBL3

DrugBank:

DB00184

ZINC:

ZINC000000391812

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).