BioLiP

PDB

BioLiP

PDB CCD ID:

A1ARV

Number of entries in BioLiP:

Chemical formula:

C9 H9 N O S

InChI:

InChI=1S/C9H9NOS/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,9-12H/t9-/m1/s1

InChIKey:

IKCBAJPNSFJNFK-SECBINFHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH](S)c1cccc2[nH]ccc12
OpenEye OEToolkits 2.0.7	c1cc(c2cc[nH]c2c1)[C@H](O)S
OpenEye OEToolkits 2.0.7	c1cc(c2cc[nH]c2c1)C(O)S
CACTVS 3.385	O[C@H](S)c1cccc2[nH]ccc12
ACDLabs 12.01	OC(S)c1cccc2[NH]ccc12

Name:

(1H-indol-4-yl)methanol

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).