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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01938764

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.74
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.74
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.74
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.73
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.73
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.73
UN73-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-
3-OXO-PROPYL]-BENZOIC ACID		A2F710.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.78
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.78
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.73
PD8PHOSPHORYLATED DIHYDROPTEROATEA1W780.72
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.74
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID		A1VCJ0.73
FONFOLINIC ACIDA,B1QD10.77
FONFOLINIC ACIDA,B2BLN0.77
FONFOLINIC ACIDA,B,C,D1VRQ0.77
FONFOLINIC ACIDA,B1KL20.77
FONFOLINIC ACIDA,B1XZQ0.77
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate		A,B,C,D3DEI0.73
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,D1LS30.78
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		A3BGX0.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.77
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.77
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.77
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.77
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.77
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.77
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.77
11B(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
6-HYDROXY-3-OXO-5-PENTYL-1-PHENYL-
2,7-DIOXA-4-AZA-6-PHOSPHANONAN-
9-OIC ACID 6-OXIDE		A,B,C2PJ50.7
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.71
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.77
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.77
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.77
BIJ7-{[(2Z,5S)-5-CHLORO-2-{[2-METHOXY-
4-(4-METHYLPIPERAZIN-1-YL)PHENYL]IMINO}-
2,5-DIHYDROPYRIMIDIN-4-YL]AMINO}-
2-METHYL-2,3-DIHYDRO-1H-ISOINDOL-
1-ONE		A2JKO0.71
I03(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3-
({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-
5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE		A2IS00.7
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE		A,B,C,D,E,F,
G,H		2ACL0.71
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.75
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.78
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.78
CPF1-CYCLOPROPYL-6-FLUORO-4-OXO-7-
PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-
3-CARBOXYLIC ACID		A1OYE0.72
CPF1-CYCLOPROPYL-6-FLUORO-4-OXO-7-
PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-
3-CARBOXYLIC ACID		A1T9U0.72
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.72
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.76
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.7
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.72
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.79
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.76
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9V0.73
7123-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-
5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-
METHYL-D-PHENYLALANINATE		A2PH60.72
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.73
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,B1T4E0.71
GG14-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-
1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-
3(2H)-YL]METHYL}BENZOIC ACID		A,B,C,D,E,F,
G,H		2OZR0.71
SK2(3R)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER		A2F6V0.73
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID		A1NZ70.74
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.73
33Z(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-[(R)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-
L-PHENYLALANYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID		A,B,C2PJA0.75
GBS4-GUANIDINOBENZOIC ACIDX2AH40.72
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.72
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.72
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.72
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE		B2G630.81
RAI1-(4-CARBOXY-2-GUANIDINOPENTYL)-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9T0.71
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.7
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
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.79
D16TOMUDEXA,B1I000.71
D16TOMUDEXA,B2KCE0.71
D16TOMUDEXA,B,C,D2TSR0.71
D16TOMUDEXA,B,C,D1HVY0.71
D16TOMUDEXA,B1RTS0.71
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.78
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.74
4464-[(4-{[6-bromo-3-(methoxycarbonyl)-
1-oxo-4-phenylisoquinolin-2(1H)-
yl]methyl}phenyl)amino]-4-oxobutanoic acid		A2ZDU0.7
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TSD0.73
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1SYN0.73
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B2VF00.73
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,E1SEJ0.73
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,D1F280.73
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TLC0.73
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.7
R6GRHODAMINE 6GB2V3L0.7
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.77
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.77
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.75
DHFDIHYDROFOLIC ACIDA1LCB0.75
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.75
DHFDIHYDROFOLIC ACIDA2RK10.75
DHFDIHYDROFOLIC ACIDA1RF70.75
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.75
DHFDIHYDROFOLIC ACIDA1TYS0.75
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.7
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.7
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.73
XINmethyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-
1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-
2-oxo-2,3-dihydro-1H-indole-6-carboxylate		A3C7Q0.76