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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02822601

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HDF8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-
5-DEAZAISOALLOXAZINE
A1QNF0.74
HDF8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-
5-DEAZAISOALLOXAZINE
A,B,C,D,I,K1TEZ0.74
HDF8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-
5-DEAZAISOALLOXAZINE
A2J070.74
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.7
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.71
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.73
CTZC2-HYDROXY-COELENTERAZINEA2HPS0.75
CTZC2-HYDROXY-COELENTERAZINEA1EL40.75
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER
A1ZSK0.7
MIX1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-
9,10-ANTHRACENEDIONE
A,B,C,D2FUM0.71
3MR(4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-
3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE
A2Q150.72
0612-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL-
5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN-
4-ONE
A,B1A8T0.78
CZN(2S,8R)-8-BENZYL-2-HYDROPEROXY-
6-(4-HYDROXYPHENYL)-2-(2-NAPHTHYLMETHYL)-
7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
3(2H)-ONE
A,B1UHK0.74
FO11-deoxy-1-(8-hydroxy-2,4-dioxo-
3,4-dihydropyrimido[4,5-b]quinolin-
10(2H)-yl)-D-ribitol
A,B,C,D3C3D0.74
FO11-deoxy-1-(8-hydroxy-2,4-dioxo-
3,4-dihydropyrimido[4,5-b]quinolin-
10(2H)-yl)-D-ribitol
A,B,C,D3C3E0.74
PZD(11aS)-7,8-dimethoxy-2-naphthalen-
2-yl-1,10,11,11a-tetrahydro-5H-
pyrrolo[2,1-c][1,4]benzodiazepin-
5-one
A,B2K4L0.7
CZI(2R)-8-BENZYL-2-HYDROPEROXY-6-(4-
HYDROXYPHENYL)-2-(4-IODOBENZYL)-
7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
3(2H)-ONE
A,B1UHI0.76
CZHC2-HYDROPEROXY-COELENTERAZINEA1QV10.74
CZHC2-HYDROPEROXY-COELENTERAZINEA1JF20.74
CZHC2-HYDROPEROXY-COELENTERAZINEA1SL90.74
CZHC2-HYDROPEROXY-COELENTERAZINEA1JF00.74
CZHC2-HYDROPEROXY-COELENTERAZINEA1QV00.74
CZHC2-HYDROPEROXY-COELENTERAZINEA,B1EJ30.74
CZP(8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPEROXY-
2-(4-HYDROXYBENZYL)-6-(4-HYDROXYPHENYL)-
7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
3(2H)-ONE
A,B1UHH0.74
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,B1Q9D0.73
CZB(2S,8R)-8-BENZYL-2-(4-BROMOBENZYL)-
2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-
7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
3(2H)-ONE
A,B1UHJ0.73
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE
A4PAX0.79
ANTANTHRAMYCINA274D0.71
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID
A1ONZ0.71
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.73
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.71
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.7
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE
A,B1UK00.7
380(2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-
N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE
H,L1W2K0.71