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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00295150

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C47METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-
9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-
9-OXO-NONANOYL]-3,4-DIHYDRO-2H-
QUINOLINE-3-CARBOXYLATE
C,O2V160.71
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE
A2VCB0.78
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE
A2VVS0.78
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE
A,B3CQM0.78
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE
A2OXN0.78
OANO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-
N-PHENYLCARBAMATE
A,B2CBJ0.78
RBFRIBOFLAVINEB,D,F,H2FL50.7
RBFRIBOFLAVINEA2CC80.7
RBFRIBOFLAVINEA,B1PKV0.7
RBFRIBOFLAVINEA,B1T6Z0.7
RBFRIBOFLAVINEA2VX90.7
RBFRIBOFLAVINEA,B,C,D,E1KYV0.7
RBFRIBOFLAVINEA1MOG0.7
RBFRIBOFLAVINEA,B,C,D,E,F,
G,H,I,J,K,L
2VXA0.7
RBFRIBOFLAVINEA,B1L5R0.7
RBFRIBOFLAVINEA,B1HZE0.7
RBFRIBOFLAVINEA,B,C,D,E2A580.7
RBFRIBOFLAVINEA,B1BU50.7
RBFRIBOFLAVINEX,Y3F4G0.7
RBFRIBOFLAVINEA1NB90.7
RBFRIBOFLAVINEA,B1I180.7
RBFRIBOFLAVINEA3DDY0.7
RBFRIBOFLAVINEA2CCB0.7
179N-[(naphthalen-2-ylamino)(oxo)acetyl]-
beta-D-glucopyranosylamine
A3CUT0.85
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.71
2SK(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-
5-(METHYLTHIO)CYCLOPENTANE-1,2,3-
TRIOL
A2F7P0.72
VPU[[(3R,4R,5S,6R)-4,5-dihydroxy-6-
(hydroxymethyl)-3-(pentanoylamino)oxan-
2-ylidene]amino] N-phenylcarbamate
A3GSM0.76
MNIN-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}-
4-(DIMETHYLAMINO)BENZAMIDE
A,B2OYM0.74
445N-[oxo(phenylamino)acetyl]-beta-
D-glucopyranosylamine
A3CUW0.81
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9R0.71
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9U0.71
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.72
OTGORTHO-TOLUOYLGLUCOSAMINEA2YHX0.72
VBZ(1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-
2-aza-bicyclo[2.2.2]octane-4,7,8-
triol
A,B2VO50.71
B664-{[(1R,2S)-1,2-dihydroxy-2-methyl-
3-(4-nitrophenoxy)propyl]amino}-
2-(trifluoromethyl)benzonitrile
A3B660.7
BA4[[(3R,4R,5S,6R)-3-(butanoylamino)-
4,5-dihydroxy-6-(hydroxymethyl)oxan-
2-ylidene]amino] N-phenylcarbamate
A3GS60.77
NBXN-{[(4-aminophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN90.76
376N-[(naphthalen-1-ylamino)(oxo)acetyl]-
beta-D-glucopyranosylamine
A3CUU0.84
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.74
BO1N-[4-(AMINOSULFONYL)PHENYL]-BETA-
D-GLUCOPYRANOSYLAMINE
A2HL40.8
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.71
478{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-
AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-
CARBAMIC ACID TETRAHYDRO-FURAN-
3-YL ESTER
B1HPV0.71
478{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-
AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-
CARBAMIC ACID TETRAHYDRO-FURAN-
3-YL ESTER
A,B1T7J0.71
NBYN-{[(4-nitrophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN80.72
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.71
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
P1JCM0.7
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBM0.7
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBL0.7
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBF0.7
PIR2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-
PYRROLIDINE-3,4-DIOL
A,B,C,D2MAS0.8
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL
A,B,C,D,E,F,
G,H
2ISL0.7
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL
A,B,C,D2ZRY0.7
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL
A,B,C,D2ZRV0.7
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL
A,B,C,D,E,F,
G,H
2ISK0.7
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL
A,B,C,D2ZRZ0.7
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL
A2FZ50.7
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.72
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.71
SK3(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-
1,2,3,4-TETROL
A2F7R0.77
M09(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-
3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-
8,9,10-triol
A2QRM0.72