BioLiP

PDB

BioLiP

PDB CCD ID:

3GY

Number of entries in BioLiP:

Chemical formula:

C10 H14

InChI:

InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m1/s1

InChIKey:

ZJMWRROPUADPEA-SECBINFHSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.9.2	CC[C@@H](C)c1ccccc1
CACTVS 3.385	CC[CH](C)c1ccccc1
OpenEye OEToolkits 1.9.2	CCC(C)c1ccccc1
ACDLabs 12.01	c1ccccc1C(CC)C

Name:

(2R)-butan-2-ylbenzene;
sec-Butylbenzene

ZINC:

ZINC000001586757

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).