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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02296673

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
P176-(2,6-DICHLORO-PHENYL)-8-METHYL-
2-(3-METHYLSULFANYL-PHENYLAMINO)-
8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE		A,B1M520.71
FONFOLINIC ACIDA,B1QD10.7
FONFOLINIC ACIDA,B2BLN0.7
FONFOLINIC ACIDA,B,C,D1VRQ0.7
FONFOLINIC ACIDA,B1KL20.7
FONFOLINIC ACIDA,B1XZQ0.7
304N-[2-methyl-5-(methylcarbamoyl)phenyl]-
2-{[(1R)-1-methylpropyl]amino}-
1,3-thiazole-5-carboxamide		A3BX50.72
Q2Y4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-
YLAMINO)-BENZOYLAMINO]-METHYL}-
THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID		A1RWM0.76
DZF5-DEAZAFOLIC ACIDA,B2DHF0.88
DZF5-DEAZAFOLIC ACIDA,B1DYH0.88
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.88
OPN{(2-AMINO-ETHYL)-[2-(2-OXO-1,2-
DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-
ACETYL]-AMINO}-ACETIC ACID		A,B,C,D1HZS0.75
CY0S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-
3-OXOPROPYL}-L-CYSTEINE		A2J5E0.71
U89N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO-
6-OXO-4-PYRIMIDINYL)-PROPYL]-[2-
((2-OXO-2-((4-PHOSPHORIBOXY)-BUTYL)-
AMINO)-ETHYL)-THIO-ACETYL]-AMINO]BENZOYL]-
1-GLUTAMIC ACID		A,B1GAR0.72
D16TOMUDEXA,B1I000.74
D16TOMUDEXA,B2KCE0.74
D16TOMUDEXA,B,C,D2TSR0.74
D16TOMUDEXA,B,C,D1HVY0.74
D16TOMUDEXA,B1RTS0.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.73
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.73
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.73
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.73
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.73
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.73
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.72
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.71
DHFDIHYDROFOLIC ACIDA1LCB0.71
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.71
DHFDIHYDROFOLIC ACIDA2RK10.71
DHFDIHYDROFOLIC ACIDA1RF70.71
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.71
DHFDIHYDROFOLIC ACIDA1TYS0.71
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z8C0.73
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z7L0.73
MEFN-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-
hexahydroimidazo[1,5-f]pteridin-
8(9H)-yl]phenyl}carbonyl)-L-glutamic acid		A3BGX0.7
LYD2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID		A,B1JUT0.79
L37A,B1DIG0.72
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.71
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.72
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B3DCJ0.71
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B1WSV0.71
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.7
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.7
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.7
6852-{2-[(3,5-dimethylphenyl)amino]pyrimidin-
4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-
4-methyl-1,3-thiazole-5-carboxamide		A3EMG0.71
FOLFOLIC ACIDA1PJ60.83
FOLFOLIC ACIDA,B1RD70.83
FOLFOLIC ACIDA,B1DHF0.83
FOLFOLIC ACIDA,B,C,D,E1QZF0.83
FOLFOLIC ACIDA4CD20.83
FOLFOLIC ACIDA1RX70.83
FOLFOLIC ACIDA1RX20.83
FOLFOLIC ACIDA1RX80.83
FOLFOLIC ACIDA1RA20.83
FOLFOLIC ACIDA,B1RE70.83
FOLFOLIC ACIDA7DFR0.83
FOLFOLIC ACIDA1VIF0.83
FOLFOLIC ACIDA,B1RB20.83
FOLFOLIC ACIDA1CD20.83
FOLFOLIC ACIDA2CD20.83
FOLFOLIC ACIDA,B1DYI0.83
FOLFOLIC ACIDA1DRF0.83
FOLFOLIC ACIDA,B,C,D3BMC0.83
FOLFOLIC ACIDA,B2D0K0.83
FOLFOLIC ACIDA1RA80.83
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.71
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.71
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.71
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.71
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.71
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.71
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.71
OQB4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-METHYL}-PYRIDINE-
3-CARBONYL)-AMINO]-BUTYRIC ACID		A1RWW0.73
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		A3BI10.71
GPBN-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-
D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID		A1E260.75
PF3(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-
THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID		A,B1UTZ0.74
MS1A,B1OZ00.7
MT1N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-
6-YL)METHYL](METHYL)AMINO}BENZOYL)-
L-GLUTAMIC ACID		A,B2INQ0.74
BFTS-BENZOYLTHIAMINE O-MONOPHOSPHATEA2HOO0.72
PD8PHOSPHORYLATED DIHYDROPTEROATEA1W780.71
MTXMETHOTREXATEA,B1DRB0.75
MTXMETHOTREXATEA,B,C,D2C7V0.75
MTXMETHOTREXATEA1U700.75
MTXMETHOTREXATEA,B,C,D1MXF0.75
MTXMETHOTREXATEA2QK80.75
MTXMETHOTREXATEA,B1RB30.75
MTXMETHOTREXATEA,B1DHJ0.75
MTXMETHOTREXATEA3DAU0.75
MTXMETHOTREXATEA1U720.75
MTXMETHOTREXATEA,B2DRC0.75
MTXMETHOTREXATEA,B1D1G0.75
MTXMETHOTREXATEA,B1DDR0.75
MTXMETHOTREXATEA,B1E7W0.75
MTXMETHOTREXATEA1RX30.75
MTXMETHOTREXATEA3DFR0.75
MTXMETHOTREXATEA,B,C,D1P330.75
MTXMETHOTREXATEA3DAT0.75
MTXMETHOTREXATEA,B1DHI0.75
MTXMETHOTREXATEA,B1TDR0.75
MTXMETHOTREXATEA,B1DRA0.75
MTXMETHOTREXATEA3EIG0.75
MTXMETHOTREXATEA3CD20.75
MTXMETHOTREXATEA1AO80.75
MTXMETHOTREXATEA1DF70.75
MTXMETHOTREXATEA1DLS0.75
MTXMETHOTREXATEA1RG70.75
MTXMETHOTREXATEA1RH30.75
MTXMETHOTREXATEA,B4DFR0.75
MTXMETHOTREXATEA1RA30.75
MTXMETHOTREXATEA,B1DDS0.75
MTXMETHOTREXATEA1DRE0.75
MTXMETHOTREXATEA,B1AXW0.75
MTXMETHOTREXATEA3CL90.75
MTXMETHOTREXATEA,B3DRC0.75
MTXMETHOTREXATEA,B,C,D,E2OIP0.75
LY32-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-4-(2H-TETRAZOL-
5-YL)-BUTYRIC ACID		A,B1JTQ0.75
LYB2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-
4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-
5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-
BUTYRYLAMINO)-4-CARBOXY-BUTYRYLAMINO}-
PENTANEDIOIC ACID		A,B1JTU0.8
LIQN-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-
2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE		A2HM10.72
L24[[[2-AMINO-5,6,7,8-TETRAHYDRO-4-
HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-
6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID		A,B1DIA0.72
24XH,L2EC90.73
LYA2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID		A,B,C,D1JUJ0.81
LYA2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID		A,B,C,D1JU60.81
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID		A1RWN0.72
4HFN-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-
HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-
6-YL]ETHYL}-2-THIENYL)CARBONYL]-
L-GLUTAMIC ACID		A,B,C2FMN0.71
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.71
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.71
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.71
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.72
BTH4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
PENTANOIC ACID		A1RWO0.76
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.71