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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03524129

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid		A3D7H0.7
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE		A1S380.77
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.77
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.77
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.77
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.77
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.77
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.71
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.73
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.8
FOLFOLIC ACIDA1PJ60.71
FOLFOLIC ACIDA,B1RD70.71
FOLFOLIC ACIDA,B1DHF0.71
FOLFOLIC ACIDA,B,C,D,E1QZF0.71
FOLFOLIC ACIDA4CD20.71
FOLFOLIC ACIDA1RX70.71
FOLFOLIC ACIDA1RX20.71
FOLFOLIC ACIDA1RX80.71
FOLFOLIC ACIDA1RA20.71
FOLFOLIC ACIDA,B1RE70.71
FOLFOLIC ACIDA7DFR0.71
FOLFOLIC ACIDA1VIF0.71
FOLFOLIC ACIDA,B1RB20.71
FOLFOLIC ACIDA1CD20.71
FOLFOLIC ACIDA2CD20.71
FOLFOLIC ACIDA,B1DYI0.71
FOLFOLIC ACIDA1DRF0.71
FOLFOLIC ACIDA,B,C,D3BMC0.71
FOLFOLIC ACIDA,B2D0K0.71
FOLFOLIC ACIDA1RA80.71
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE		A1Q650.75
LORLORACABEFA,B1FCN0.7
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.8
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.8
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.8
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.8
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.8
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.8
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.8
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.82
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE		A4PAX0.72
SX34-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}aniline		A,B3CJ20.71
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid		A2VKG0.7
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		A3BGX0.78
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE		H,I1YPM0.71
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid		A,B3CJ40.73
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.81
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.81
SY12-({2-[(3R)-3-AMINOPIPERIDIN-1-
YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE		A,B,C,D2ONC0.76
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one		A3G3N0.74
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.79
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.73
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.7
D16TOMUDEXA,B1I000.77
D16TOMUDEXA,B2KCE0.77
D16TOMUDEXA,B,C,D2TSR0.77
D16TOMUDEXA,B,C,D1HVY0.77
D16TOMUDEXA,B1RTS0.77
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,B1GAR0.74
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.7
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.79
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE		A,B1UK00.76
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine		A,B3DDS0.72
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.8
DHFDIHYDROFOLIC ACIDA1LCB0.8
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.8
DHFDIHYDROFOLIC ACIDA2RK10.8
DHFDIHYDROFOLIC ACIDA1RF70.8
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.8
DHFDIHYDROFOLIC ACIDA1TYS0.8
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE		A1K4H0.73
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.71
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.78
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.78
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.78
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.81
S2DN-BENZOYL-D-ALANINEA,B2JCI0.78
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
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TSD0.77
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1SYN0.77
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B2VF00.77
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,E1SEJ0.77
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,D1F280.77
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TLC0.77
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
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate		A,C,D,E,G,P,
Q,R,W		3CWB0.7
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.82
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE		A,B,C2Q110.77
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.72
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.75
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.71
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A1SLN0.77
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A2SRT0.77
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A3BG80.77
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.71
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.7
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.8
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.8
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.8
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE		A1WDA0.72
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,		A1WAX0.7
VBP4-({3-[(2R)-2-amino-2-carboxyethyl]-
2,6-dioxo-3,6-dihydropyrimidin-
1(2H)-yl}methyl)benzoic acid		B,E,G,H,J,L,
N,P		3H060.71
DZF5-DEAZAFOLIC ACIDA,B2DHF0.73
DZF5-DEAZAFOLIC ACIDA,B1DYH0.73
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.73
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE		B2FP70.75
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE		C2IPK0.73
KYNKYNURENINEA,B,C,D2R2N0.73
KYNKYNURENINEA,B3E2Z0.73
KYNKYNURENINEA1XT70.73
KYNKYNURENINEA1T5M0.73
KYNKYNURENINEA1T5N0.73
KYNKYNURENINEA2VOV0.73
KYNKYNURENINEA2VOX0.73
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.76
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.76
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.76
FONFOLINIC ACIDA,B1QD10.8
FONFOLINIC ACIDA,B2BLN0.8
FONFOLINIC ACIDA,B,C,D1VRQ0.8
FONFOLINIC ACIDA,B1KL20.8
FONFOLINIC ACIDA,B1XZQ0.8
38M3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-
2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-
4(3H)-one		A3F9N0.7
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,D1LS30.79
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.81
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.81
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.81
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.81
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.81
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.81
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.81
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.72
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid		A,B2WKW0.72
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.83
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.83
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.83
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.83
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.83
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.83
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.83
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.83
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.83
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.83
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.83