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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00475070

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DZF5-DEAZAFOLIC ACIDA,B2DHF0.71
DZF5-DEAZAFOLIC ACIDA,B1DYH0.71
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.71
FONFOLINIC ACIDA,B1QD10.78
FONFOLINIC ACIDA,B2BLN0.78
FONFOLINIC ACIDA,B,C,D1VRQ0.78
FONFOLINIC ACIDA,B1KL20.78
FONFOLINIC ACIDA,B1XZQ0.78
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,B1GAR0.78
KMB2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-
3H-QUINAZOLIN-4-ONE		A1Q660.76
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE		B2FP70.71
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.74
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.74
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.74
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid		A,B3CJ40.72
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
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,C2FMN0.73
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.7
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.81
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE		A1Q650.78
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one		A3G3N0.74
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.81
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.77
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.77
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.77
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.72
38M3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-
2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-
4(3H)-one		A3F9N0.76
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,D1LS30.77
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.71
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.81
S2DN-BENZOYL-D-ALANINEA,B2JCI0.7
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.71
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A,B1BCS0.71
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A1SGC0.71
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.74
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.7
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID		A1NZ70.75
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.78
DHFDIHYDROFOLIC ACIDA1LCB0.78
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.78
DHFDIHYDROFOLIC ACIDA2RK10.78
DHFDIHYDROFOLIC ACIDA1RF70.78
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.78
DHFDIHYDROFOLIC ACIDA1TYS0.78
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID		A1HTE0.74
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.74
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE		A1K4H0.76
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		A3BGX0.76
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.76
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.76
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.76
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.76
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.76
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.8
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.8
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine		A,B3DDS0.71
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.77
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine		A,B3DD10.7
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.78
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.78
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.75
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.79
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.79
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.79
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.79
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.79
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.79
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.79
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A1SLN0.73
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A2SRT0.73
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A3BG80.73
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.78
TINA,B1N940.77
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.76
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.76
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.76
D16TOMUDEXA,B1I000.79
D16TOMUDEXA,B2KCE0.79
D16TOMUDEXA,B,C,D2TSR0.79
D16TOMUDEXA,B,C,D1HVY0.79
D16TOMUDEXA,B1RTS0.79
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.81
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.81