BioLiP

PDB

BioLiP

PDB CCD ID:

MEB

Number of entries in BioLiP:

Chemical formula:

C4 H8

InChI:

InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3

InChIKey:

VQTUBCCKSQIDNK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	CC(=C)C
CACTVS 3.370	CC(C)=C
ACDLabs 12.01	C=C(\C)C

Name:

2-methylprop-1-ene

ZINC:

ZINC000059940055

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).