BioLiP

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●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●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 ●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

PDB

BioLiP

PDB CCD ID:

35H

Number of entries in BioLiP:

Chemical formula:

C23 H24 N2 O5 S

InChI:

InChI=1S/C23H24N2O5S/c1-25(15-17-7-9-18(10-8-17)22(27)16-26)23(28)19-11-13-21(14-12-19)31(29,30)24-20-5-3-2-4-6-20/h2-14,22,24,26-27H,15-16H2,1H3/t22-/m1/s1

InChIKey:

LJBXWGVECYNLLM-JOCHJYFZSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S(=O)(Nc1ccccc1)c3ccc(C(=O)N(Cc2ccc(cc2)C(O)CO)C)cc3
OpenEye OEToolkits 1.9.2	CN(Cc1ccc(cc1)[C@@H](CO)O)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3
OpenEye OEToolkits 1.9.2	CN(Cc1ccc(cc1)C(CO)O)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3
CACTVS 3.385	CN(Cc1ccc(cc1)[CH](O)CO)C(=O)c2ccc(cc2)[S](=O)(=O)Nc3ccccc3
CACTVS 3.385	CN(Cc1ccc(cc1)[C@H](O)CO)C(=O)c2ccc(cc2)[S](=O)(=O)Nc3ccccc3

Name:

N-{4-[(1S)-1,2-dihydroxyethyl]benzyl}-N-methyl-4-(phenylsulfamoyl)benzamide

ZINC:

ZINC000223872864

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).

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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