BioLiP

PDB

BioLiP

PDB CCD ID:

46Q

Number of entries in BioLiP:

Chemical formula:

C9 H20 N2 O

InChI:

InChI=1S/C9H20N2O/c1-3-9(2,8-10)11-4-6-12-7-5-11/h3-8,10H2,1-2H3/t9-/m1/s1

InChIKey:

RNGALZNABGSEIF-SECBINFHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC[C](C)(CN)N1CCOCC1
CACTVS 3.385 OpenEye OEToolkits 1.9.2	CC[C@](C)(CN)N1CCOCC1
OpenEye OEToolkits 1.9.2	CCC(C)(CN)N1CCOCC1
ACDLabs 12.01	O1CCN(C(CN)(C)CC)CC1

Name:

(2R)-2-methyl-2-(morpholin-4-yl)butan-1-amine

ZINC:

ZINC000019413947

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).