BioLiP

PDB

BioLiP

PDB CCD ID:

ZA9

Number of entries in BioLiP:

Chemical formula:

C13 H16 N2

InChI:

InChI=1S/C13H16N2/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,4-6,8,10,14-15H,2-3,7,9H2/t10-/m1/s1

InChIKey:

JWMGZQMVMZBMFM-SNVBAGLBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c2cc[nH]c2c1)C3CCCNC3
CACTVS 3.385	C1CNC[CH](C1)c2cccc3[nH]ccc23
CACTVS 3.385	C1CNC[C@@H](C1)c2cccc3[nH]ccc23
OpenEye OEToolkits 2.0.7	c1cc(c2cc[nH]c2c1)[C@@H]3CCCNC3
ACDLabs 12.01	c1c[NH]c2cccc(c12)C1CCCNC1

Name:

4-[(3S)-piperidin-3-yl]-1H-indole

ZINC:

ZINC000033884898

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).