BioLiP

PDB

BioLiP

PDB CCD ID:

962

Number of entries in BioLiP:

Chemical formula:

C8 H19 N O3

InChI:

InChI=1S/C8H19NO3/c1-7(11)5-9(3-4-10)6-8(2)12/h7-8,10-12H,3-6H2,1-2H3/t7-,8-/m0/s1

InChIKey:

HHKUQCFQGCCLGA-YUMQZZPRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(CN(CCO)CC(C)O)O
CACTVS 3.385	C[C@H](O)CN(CCO)C[C@H](C)O
CACTVS 3.385	C[CH](O)CN(CCO)C[CH](C)O
OpenEye OEToolkits 2.0.6	C[C@@H](CN(CCO)C[C@H](C)O)O

Name:

(2~{S})-1-[2-hydroxyethyl-[(2~{S})-2-oxidanylpropyl]amino]propan-2-ol

ZINC:

ZINC000000393565

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).