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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02477860

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide		A,B2VQV0.7
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide		A2VQM0.7
DVPMETHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D,E,F,
G,H		3H4V0.74
YBH4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-
BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
BUTYRIC ACID		A1RWX0.72
T42MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACIDH,I1AI80.71
HQC3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-
AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
4-OXO-BUTYRI ACID		A1RWP0.7
FE1METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D2QHX0.72
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER		B,C1KTS0.75
QINN-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-
2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-
6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE		A2OAH0.74
L37A,B1DIG0.72
D16TOMUDEXA,B1I000.72
D16TOMUDEXA,B2KCE0.72
D16TOMUDEXA,B,C,D2TSR0.72
D16TOMUDEXA,B,C,D1HVY0.72
D16TOMUDEXA,B1RTS0.72
MT1N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-
6-YL)METHYL](METHYL)AMINO}BENZOYL)-
L-GLUTAMIC ACID		A,B2INQ0.76
SPP(1-(5-METHANSULPHONAMIDO-1H-INDOL-
2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE		A1KLM0.71
OQB4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-METHYL}-PYRIDINE-
3-CARBONYL)-AMINO]-BUTYRIC ACID		A1RWW0.75
L344-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-
TETRAHYDRO-2,5,6,8,9B-PENTAAZA-
CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-
GLUTAMIC ACID		A,B1DIB0.73
3BI(2S)-2-{[(R)-[(3R)-3-carboxy-3-
{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid		A3BI10.74
BTH4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
PENTANOIC ACID		A1RWO0.86
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B3DCJ0.73
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B1WSV0.73
CY0S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-
3-OXOPROPYL}-L-CYSTEINE		A2J5E0.7
Q2Y4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-
YLAMINO)-BENZOYLAMINO]-METHYL}-
THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID		A1RWM0.86
B18(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-
1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-
2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-
6-CARBOXAMIDE		A,B,C2PZY0.73
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHJ0.72
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHK0.72
6264-(4-METHYLPIPERAZIN-1-YL)-N-[5-
(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-
C]PYRAZOL-3-YL]BENZAMIDE		A2OWB0.7
6264-(4-METHYLPIPERAZIN-1-YL)-N-[5-
(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-
C]PYRAZOL-3-YL]BENZAMIDE		A,B2J4Z0.7
G372-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-
METHYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL-
2-YLMETHYLCARBAMOYL)-1-BENZYL-2-
HYDROXYPROPYL]-AMIDE		A1HTG0.7
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID		A1RWN0.78
DZF5-DEAZAFOLIC ACIDA,B2DHF0.73
DZF5-DEAZAFOLIC ACIDA,B1DYH0.73
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.73
FOLFOLIC ACIDA1PJ60.75
FOLFOLIC ACIDA,B1RD70.75
FOLFOLIC ACIDA,B1DHF0.75
FOLFOLIC ACIDA,B,C,D,E1QZF0.75
FOLFOLIC ACIDA4CD20.75
FOLFOLIC ACIDA1RX70.75
FOLFOLIC ACIDA1RX20.75
FOLFOLIC ACIDA1RX80.75
FOLFOLIC ACIDA1RA20.75
FOLFOLIC ACIDA,B1RE70.75
FOLFOLIC ACIDA7DFR0.75
FOLFOLIC ACIDA1VIF0.75
FOLFOLIC ACIDA,B1RB20.75
FOLFOLIC ACIDA1CD20.75
FOLFOLIC ACIDA2CD20.75
FOLFOLIC ACIDA,B1DYI0.75
FOLFOLIC ACIDA1DRF0.75
FOLFOLIC ACIDA,B,C,D3BMC0.75
FOLFOLIC ACIDA,B2D0K0.75
FOLFOLIC ACIDA1RA80.75
S986-amino-2-[(thiophen-2-ylmethyl)amino]-
1,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one		A3C2Z0.71
NZOnocodazoleA,B3EE20.73
PF3(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-
THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID		A,B1UTZ0.7
MTXMETHOTREXATEA,B1DRB0.78
MTXMETHOTREXATEA,B,C,D2C7V0.78
MTXMETHOTREXATEA1U700.78
MTXMETHOTREXATEA,B,C,D1MXF0.78
MTXMETHOTREXATEA2QK80.78
MTXMETHOTREXATEA,B1RB30.78
MTXMETHOTREXATEA,B1DHJ0.78
MTXMETHOTREXATEA3DAU0.78
MTXMETHOTREXATEA1U720.78
MTXMETHOTREXATEA,B2DRC0.78
MTXMETHOTREXATEA,B1D1G0.78
MTXMETHOTREXATEA,B1DDR0.78
MTXMETHOTREXATEA,B1E7W0.78
MTXMETHOTREXATEA1RX30.78
MTXMETHOTREXATEA3DFR0.78
MTXMETHOTREXATEA,B,C,D1P330.78
MTXMETHOTREXATEA3DAT0.78
MTXMETHOTREXATEA,B1DHI0.78
MTXMETHOTREXATEA,B1TDR0.78
MTXMETHOTREXATEA,B1DRA0.78
MTXMETHOTREXATEA3EIG0.78
MTXMETHOTREXATEA3CD20.78
MTXMETHOTREXATEA1AO80.78
MTXMETHOTREXATEA1DF70.78
MTXMETHOTREXATEA1DLS0.78
MTXMETHOTREXATEA1RG70.78
MTXMETHOTREXATEA1RH30.78
MTXMETHOTREXATEA,B4DFR0.78
MTXMETHOTREXATEA1RA30.78
MTXMETHOTREXATEA,B1DDS0.78
MTXMETHOTREXATEA1DRE0.78
MTXMETHOTREXATEA,B1AXW0.78
MTXMETHOTREXATEA3CL90.78
MTXMETHOTREXATEA,B3DRC0.78
MTXMETHOTREXATEA,B,C,D,E2OIP0.78