BioLiP

PDB

BioLiP

PDB CCD ID:

TSC

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O

InChI:

InChI=1S/C10H12N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5,11H2/t10-/m0/s1

InChIKey:

WNWJSYYPDDQIQV-JTQLQIEISA-N

SMILES:

Software	SMILES
ACDLabs 10.04	OC(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(c[nH]2)CC(N)O
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(c[nH]2)C[C@@H](N)O
CACTVS 3.341	N[CH](O)Cc1c[nH]c2ccccc12
CACTVS 3.341	N[C@@H](O)Cc1c[nH]c2ccccc12

Name:

(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL

DrugBank:

DB08649

ZINC:

ZINC000053683275

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).