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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01812272

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.83
MITARGATROBANH1DWC0.7
D16TOMUDEXA,B1I000.73
D16TOMUDEXA,B2KCE0.73
D16TOMUDEXA,B,C,D2TSR0.73
D16TOMUDEXA,B,C,D1HVY0.73
D16TOMUDEXA,B1RTS0.73
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.71
RAGARGIFINA,B1W9V0.7
RAGARGIFINA1WB00.7
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A1SLN0.81
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A2SRT0.81
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A3BG80.81
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.8
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.76
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine		A,B3DDS0.73
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
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.82
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TSD0.76
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1SYN0.76
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B2VF00.76
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B,C,D,E1SEJ0.76
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B,C,D1F280.76
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TLC0.76
DIZ(4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-
7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-
4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID		A,B1T4E0.72
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.83
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.83
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.83
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.81
DHFDIHYDROFOLIC ACIDA1LCB0.81
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.81
DHFDIHYDROFOLIC ACIDA2RK10.81
DHFDIHYDROFOLIC ACIDA1RF70.81
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.81
DHFDIHYDROFOLIC ACIDA1TYS0.81
MC2N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-
L-ARIGNINAMIDE		A1T9Y0.73
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE		H,I1YPM0.71
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.78
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.78
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.78
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.78
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.78
NKKN~2~-(naphthalen-2-ylcarbonyl)-
L-lysyl-N-[(1S)-4-carbamimidamido-
1-formylbutyl]-L-lysinamide		B,D3E900.7
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE		B2FP70.8
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A,B1BCS0.75
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A1SGC0.75
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.72
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.71
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE		A,B1UK10.7
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.78
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.78
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.78
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.83
VRGN~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanyl-
L-aspartic acid		A,B3CHE0.7
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.71
FONFOLINIC ACIDA,B1QD10.81
FONFOLINIC ACIDA,B2BLN0.81
FONFOLINIC ACIDA,B,C,D1VRQ0.81
FONFOLINIC ACIDA,B1KL20.81
FONFOLINIC ACIDA,B1XZQ0.81
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.83
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.83
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.83
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.83
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.83
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.83
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.83
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		A3BGX0.79
WRGN~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanine		A,B3CHD0.72
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine		A3BKK0.72
FOLFOLIC ACIDA1PJ60.72
FOLFOLIC ACIDA,B1RD70.72
FOLFOLIC ACIDA,B1DHF0.72
FOLFOLIC ACIDA,B,C,D,E1QZF0.72
FOLFOLIC ACIDA4CD20.72
FOLFOLIC ACIDA1RX70.72
FOLFOLIC ACIDA1RX20.72
FOLFOLIC ACIDA1RX80.72
FOLFOLIC ACIDA1RA20.72
FOLFOLIC ACIDA,B1RE70.72
FOLFOLIC ACIDA7DFR0.72
FOLFOLIC ACIDA1VIF0.72
FOLFOLIC ACIDA,B1RB20.72
FOLFOLIC ACIDA1CD20.72
FOLFOLIC ACIDA2CD20.72
FOLFOLIC ACIDA,B1DYI0.72
FOLFOLIC ACIDA1DRF0.72
FOLFOLIC ACIDA,B,C,D3BMC0.72
FOLFOLIC ACIDA,B2D0K0.72
FOLFOLIC ACIDA1RA80.72
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.73
TGF2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-
OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN-
6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
4-CARBOXY-BUTYRYLAMINO)-4-CARBOXY-
BUTYRYLAMINO]-PENTANEDIOIC ACID		A,B,C,D1LS30.82
DZF5-DEAZAFOLIC ACIDA,B2DHF0.72
DZF5-DEAZAFOLIC ACIDA,B1DYH0.72
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.72
CHYCHYMOSTATINA,B1M210.73
CHYCHYMOSTATINA,B1WVM0.73
055(2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]amino}(phenyl)ethanoic acid		A,B3DDW0.71
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID		A1NZ70.72
CPF1-CYCLOPROPYL-6-FLUORO-4-OXO-7-
PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-
3-CARBOXYLIC ACID		A1OYE0.71
CPF1-CYCLOPROPYL-6-FLUORO-4-OXO-7-
PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-
3-CARBOXYLIC ACID		A1T9U0.71
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.79
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.79
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.79
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.76
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.76
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.76
UN73-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-
3-OXO-PROPYL]-BENZOIC ACID		A2F710.71
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.82
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.77
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine		A,B3DD10.72
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid		A,B3FCL0.73
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.78
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.78
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.78
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.78
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.78
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.78
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.78
VG5N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxo-2,3-dihydro-1H-pyrrol-
1-yl)benzamide		A2VJ60.72