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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02497876

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.98
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.98
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.98
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.98
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.98
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.88
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.88
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.88
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.88
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.88
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.88
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.88
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.86
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.86
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,C2FMN0.86
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A3G5R0.86
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID		A1WOO0.86
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.85
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.85
DHFDIHYDROFOLIC ACIDA1LCB0.85
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.85
DHFDIHYDROFOLIC ACIDA2RK10.85
DHFDIHYDROFOLIC ACIDA1RF70.85
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.85
DHFDIHYDROFOLIC ACIDA1TYS0.85
FONFOLINIC ACIDA,B1QD10.84
FONFOLINIC ACIDA,B2BLN0.84
FONFOLINIC ACIDA,B,C,D1VRQ0.84
FONFOLINIC ACIDA,B1KL20.84
FONFOLINIC ACIDA,B1XZQ0.84
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,D1LS30.83
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		A3BGX0.83
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.82
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.82
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.82
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.82
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.82
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.82
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.82
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.82
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.82
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.82
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.82
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.82
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.82
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
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE		B2FP70.8
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.8
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.8
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.8
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid		A3D7H0.8
KEUN-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-
6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-
(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-
D-GLUTAMIC ACID		A,B1NJS0.79
KEUN-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-
6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-
(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-
D-GLUTAMIC ACID		A,B,C,D1RBY0.79
KEUN-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-
6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-
(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-
D-GLUTAMIC ACID		A,B,C,D1RBQ0.79
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.79
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.79
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.79
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A,B1BCS0.77
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A1SGC0.77
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine		A3BKK0.77
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,B1GAR0.76
CHYCHYMOSTATINA,B1M210.75
CHYCHYMOSTATINA,B1WVM0.75
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TSD0.75
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1SYN0.75
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B2VF00.75
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,E1SEJ0.75
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,D1F280.75
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID		A,B1TLC0.75
WRGN~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanine		A,B3CHD0.74
TP34-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-
SULFONYL-D-PROLINE		A,B1F4F0.73
RAGARGIFINA,B1W9V0.73
RAGARGIFINA1WB00.73
TPI4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO-
METHYL)-NAPHTHALENE-2-CARBONYL]-
AMINO}-BUTYRIC ACID		A1BZC0.73
UBC(S)-1-(2-AMINO-2-CARBOXYETHYL)-
3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-
DIONE		A,B2F350.73
S2DN-BENZOYL-D-ALANINEA,B2JCI0.73
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid		A,B3FCL0.73
TP4N-[4-[[GLUTAMIC ACID]-CARBONYL]-
BENZENE-SULFONYL-D-PROLINYL]-3-
AMINO-PROPANOIC ACID		A,B1F4G0.72
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL		H,L1D6V0.72
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL		A,B,H,L1AXS0.72
BGDN-BENZOYL-L-GLUTAMYL-[4-PHOSPHONO(DIFLUOROMETHYL)]-
L-PHENYLALANINE-[4-PHOSPHONO(DIFLUORO-
METHYL)]-L-PHENYLALANINEAMIDE		A,B,C,D1LQF0.72
FR12-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-
TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-
1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID		N1MMJ0.72
D16TOMUDEXA,B1I000.72
D16TOMUDEXA,B2KCE0.72
D16TOMUDEXA,B,C,D2TSR0.72
D16TOMUDEXA,B,C,D1HVY0.72
D16TOMUDEXA,B1RTS0.72
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		3H060.72
AIPANTIPAINA,B1BCR0.72
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A1SLN0.72
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A2SRT0.72
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A3BG80.72
DZF5-DEAZAFOLIC ACIDA,B2DHF0.72
DZF5-DEAZAFOLIC ACIDA,B1DYH0.72
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.72
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE		A1WDA0.72
M384-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-
6(11H)-YL)BUTANOATE		A,C1SC70.72
TINA,B1N940.72
VRGN~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanyl-
L-aspartic acid		A,B3CHE0.71
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate		A,C,D,E,G,P,
Q,R,W		3CWB0.71
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.71
FRG2-[3-METHYL-4-(N-METHYL-GUANIDINO)-
BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-
PHENYL)-PROPIONIC ACID METHYL ESTER		A,B1M480.71
URGN-acetyl-D-alanyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanyl-
L-aspartic acid		A,B3CHF0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.71
EJ54-[3-(2-amino-4-hydroxy-6-oxo-1,6-
dihydropyrimidin-5-yl)propyl]benzoic acid		X3EJ50.71
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.71
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.71
X9AA,B3E7A0.71
NKKN~2~-(naphthalen-2-ylcarbonyl)-
L-lysyl-N-[(1S)-4-carbamimidamido-
1-formylbutyl]-L-lysinamide		B,D3E900.71
MEL[((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-
1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID		H,I1K220.71
MEL[((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-
1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID		A1K1P0.71
FCK3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-
tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid		B3FCK0.7
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.7
FOLFOLIC ACIDA1PJ60.7
FOLFOLIC ACIDA,B1RD70.7
FOLFOLIC ACIDA,B1DHF0.7
FOLFOLIC ACIDA,B,C,D,E1QZF0.7
FOLFOLIC ACIDA4CD20.7
FOLFOLIC ACIDA1RX70.7
FOLFOLIC ACIDA1RX20.7
FOLFOLIC ACIDA1RX80.7
FOLFOLIC ACIDA1RA20.7
FOLFOLIC ACIDA,B1RE70.7
FOLFOLIC ACIDA7DFR0.7
FOLFOLIC ACIDA1VIF0.7
FOLFOLIC ACIDA,B1RB20.7
FOLFOLIC ACIDA1CD20.7
FOLFOLIC ACIDA2CD20.7
FOLFOLIC ACIDA,B1DYI0.7
FOLFOLIC ACIDA1DRF0.7
FOLFOLIC ACIDA,B,C,D3BMC0.7
FOLFOLIC ACIDA,B2D0K0.7
FOLFOLIC ACIDA1RA80.7
LGGN-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-
L-GLUTAMINYL-N-[(1S)-4-AMINO-1-
(2-CARBOXYETHYL)-4-OXOBUTYL]-L-
LEUCINAMIDE		A,B2IPH0.7