BioLiP

PDB

BioLiP

PDB CCD ID:

UMW

Number of entries in BioLiP:

Chemical formula:

C8 H18 N2 O

InChI:

InChI=1S/C8H18N2O/c1-8(2,11)6-10-4-3-7(9)5-10/h7,11H,3-6,9H2,1-2H3/t7-/m0/s1

InChIKey:

VDMURYIBJNVHLD-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(CN1CC[C@@H](C1)N)O
CACTVS 3.385	CC(C)(O)CN1CC[CH](N)C1
OpenEye OEToolkits 2.0.7	CC(C)(CN1CCC(C1)N)O
CACTVS 3.385	CC(C)(O)CN1CC[C@H](N)C1

Name:

1-[(3~{S})-3-azanylpyrrolidin-1-yl]-2-methyl-propan-2-ol

ZINC:

ZINC000050243960

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).