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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02384400

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL
A1RFT0.7
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL
A,B2Z9V0.7
GGXB,C,E,H3GGX0.71
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.74
GGVB3GGV0.75
DAY1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-
1,11-dihydroxy-2,5,10a,12a-tetramethyl-
7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-
dodecahydrocyclopenta[5,6]naphtho[1,2-
f]indazol-1-yl]-2-hydroxyethanone
A3BQD0.72
DR7(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-
8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-
6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER
B2AQU0.7
DR7(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-
8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-
6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER
A2FXD0.7
DR7(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-
8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-
6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER
A2O4K0.7
DR7(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-
8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-
6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER
A,B2FXE0.7
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID
A,B,C,D1H9U0.72
ELP(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID
A1M0P0.72
XN1N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4-
HYDROXY-2-(1-PHENYLETHYL)-PENTANAMIDE
A,B1K6T0.72
DRP2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-
MONOPHOSPHATE
A,B1JES0.71
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
A,C1HSH0.72
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
A,B1SDU0.72
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
A,B,C,D2R5P0.72
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
B1HSG0.72
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
A,B1SDV0.72
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
A,B2AVS0.72
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
A,B2AVO0.72
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
A,B1SDT0.72
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
A,B,D,E2AVV0.72
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
B2B7Z0.72
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
B1C6Y0.72
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
B2BPX0.72
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
A,B1K6C0.72
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
B1SGU0.72
PYF3-PYRIDINYLCARBINOLA,B1R160.72
A77N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-
4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-
2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-
5-PHENYL-PENTYL}-3-METHYL-2-(3-
METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-
BUTYRAMIDE
A1HVI0.71
A77N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-
4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-
2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-
5-PHENYL-PENTYL}-3-METHYL-2-(3-
METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-
BUTYRAMIDE
A1HVS0.71
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)
A2RAH0.72
A79N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-
4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-
2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-
5-PHENYL-PENTYL}-3-METHYL-2-(3-
METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-
BUTYRAMIDE
A1HVC0.71
A79N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-
4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-
2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-
5-PHENYL-PENTYL}-3-METHYL-2-(3-
METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-
BUTYRAMIDE
A1HVK0.71
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.71
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide
A,B,C,D3D3E0.73
2AHB2CEM0.71
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol
A,B3EPX0.72
GGWmethyl [(1S,4S,5S,7S,10S)-4-benzyl-
1,10-di-tert-butyl-5-hydroxy-2,9,12-
trioxo-7-(4-pyridin-2-ylbenzyl)-
13-oxa-3,8,11-triazatetradec-1-
yl]carbamate
H3GGA0.73
PY7PYRIDIN-4-YLMETHANOLA2EUR0.71
A78N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-
2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-
UREIDO)-BUTYRYLAMINO]-5-PHENYL-
PENTYL}-3-METHYL-2-(3-METHYL-3-
PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
A1HVJ0.71
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL
A1QXY0.73
A76N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-
4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-
2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-
5-PHENYL-PENTYL}-3-METHYL-2-(3-
METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-
BUTYRAMIDE
B1HVL0.71