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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01956685

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER
A1ZSK0.72
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.76
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID
A1ONZ0.73
HABA,B1SRE0.73
3MR(4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-
3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE
A2Q150.74
HDF8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-
5-DEAZAISOALLOXAZINE
A1QNF0.73
HDF8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-
5-DEAZAISOALLOXAZINE
A,B,C,D,I,K1TEZ0.73
HDF8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-
5-DEAZAISOALLOXAZINE
A2J070.73
NN21-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-
2H-1,2,4-BENZOTHIADIAZIN-3-YL)-
6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-
ONE
A,B2GIQ0.71
CZI(2R)-8-BENZYL-2-HYDROPEROXY-6-(4-
HYDROXYPHENYL)-2-(4-IODOBENZYL)-
7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
3(2H)-ONE
A,B1UHI0.72
8883-(1,1-dioxido-4H-1,2,4-benzothiadiazin-
3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-
2(1H)-one
A,B2FVC0.72
MTBA,B1SRF0.73
NABA,B1SRJ0.74
FO11-deoxy-1-(8-hydroxy-2,4-dioxo-
3,4-dihydropyrimido[4,5-b]quinolin-
10(2H)-yl)-D-ribitol
A,B,C,D3C3D0.73
FO11-deoxy-1-(8-hydroxy-2,4-dioxo-
3,4-dihydropyrimido[4,5-b]quinolin-
10(2H)-yl)-D-ribitol
A,B,C,D3C3E0.73
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.75
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID
A1ZLY0.71
GG14-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-
1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-
3(2H)-YL]METHYL}BENZOIC ACID
A,B,C,D,E,F,
G,H
2OZR0.73
CZP(8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPEROXY-
2-(4-HYDROXYBENZYL)-6-(4-HYDROXYPHENYL)-
7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
3(2H)-ONE
A,B1UHH0.71
BL4(3aS)-3a-hydroxy-5-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ70.72
CZHC2-HYDROPEROXY-COELENTERAZINEA1QV10.76
CZHC2-HYDROPEROXY-COELENTERAZINEA1JF20.76
CZHC2-HYDROPEROXY-COELENTERAZINEA1SL90.76
CZHC2-HYDROPEROXY-COELENTERAZINEA1JF00.76
CZHC2-HYDROPEROXY-COELENTERAZINEA1QV00.76
CZHC2-HYDROPEROXY-COELENTERAZINEA,B1EJ30.76
YOL[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-
)-N,N',O,O']-IRON
A,B1WZF0.71
BIT(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-
4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-
4-ONE
A1YV30.73
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE
A,B1I300.71
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE
A4PAX0.81
BL6(3aS)-3a-hydroxy-7-methyl-1-phenyl-
1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-
b]quinolin-4-one
A3BZ80.73
MHBA,B1SRG0.73
BL7(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-
tetrahydro-4H-pyrrolo[2,3-b]quinolin-
4-one
A3BZ90.74
DMBA,B1SRI0.71
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BYX0.7
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BZ00.7
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE
A,B1UK00.73
0612-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL-
5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN-
4-ONE
A,B1A8T0.81
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE
A,B,C,D2ONC0.7
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.72
YOK[[2,2'-[4-CARBOXYETHYL-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-
)-N,N',O,O']-IRON
A,B1WZD0.71
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.71
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE
A,B,C2Q110.74
OI13-(4-HYDROXYBENZYL)-2-[1-({[2-(4-
HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]-
4-OXO-3,6,11,11A-TETRAHYDRO-4H-
PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM-
1-OLATE
A,B1Q9D0.7
CTZC2-HYDROXY-COELENTERAZINEA2HPS0.76
CTZC2-HYDROXY-COELENTERAZINEA1EL40.76