BioLiP

PDB

BioLiP

PDB CCD ID:

8PN

Number of entries in BioLiP:

Chemical formula:

C4 H7 N

InChI:

InChI=1S/C4H7N/c1-3-4(2)5/h1,4H,5H2,2H3/t4-/m0/s1

InChIKey:

ZZRMYOZQUCUWFT-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C#C)N
OpenEye OEToolkits 2.0.7	C[C@@H](C#C)N
CACTVS 3.385	C[CH](N)C#C
CACTVS 3.385	C[C@H](N)C#C

Name:

(2S)-but-3-yn-2-amine;
2-Aminobutin

ZINC:

ZINC000038462343

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).