BioLiP

PDB

BioLiP

PDB CCD ID:

XL4

Number of entries in BioLiP:

Chemical formula:

C11 H14 N2

InChI:

InChI=1S/C11H14N2/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m0/s1

InChIKey:

UNUICNBHOJTXMS-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@@H](CN)c1c[nH]c2c1cccc2
CACTVS 3.385	C[CH](CN)c1c[nH]c2ccccc12
ACDLabs 12.01	CC(CN)c1cnc2ccccc12
CACTVS 3.385	C[C@@H](CN)c1c[nH]c2ccccc12
OpenEye OEToolkits 2.0.7	CC(CN)c1c[nH]c2c1cccc2

Name:

(2R)-2-(1H-indol-3-yl)propan-1-amine

ZINC:

ZINC000027558640

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).