BioLiP Library

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●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP Library

PDB

BioLiP

PDB CCD ID:

5IF

Number of entries in BioLiP:

Chemical formula:

C20 H24 N2 O4

InChI:

InChI=1S/C20H24N2O4/c1-20(2,3)19(25)21-17(18(24)22-26)16-10-8-15(9-11-16)14-6-4-13(12-23)5-7-14/h4-11,17,23,26H,12H2,1-3H3,(H,21,25)(H,22,24)/t17-/m1/s1

InChIKey:

RZJKOPJQCUYRDV-QGZVFWFLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(C)C(=O)NC(c1ccc(cc1)c2ccc(cc2)CO)C(=O)NO
OpenEye OEToolkits 2.0.7	CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccc(cc2)CO)C(=O)NO
CACTVS 3.385	CC(C)(C)C(=O)N[C@@H](C(=O)NO)c1ccc(cc1)c2ccc(CO)cc2
ACDLabs 12.01	OCc1ccc(cc1)c1ccc(cc1)C(NC(=O)C(C)(C)C)C(=O)NO
CACTVS 3.385	CC(C)(C)C(=O)N[CH](C(=O)NO)c1ccc(cc1)c2ccc(CO)cc2

Name:

N-{(1R)-2-(hydroxyamino)-1-[4'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide

Reference:

Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
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).

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