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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02306303

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.73
TPI4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO-
METHYL)-NAPHTHALENE-2-CARBONYL]-
AMINO}-BUTYRIC ACID
A1BZC0.7
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
A3BGX0.72
NBXN-{[(4-aminophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN90.7
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.74
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
A,L1YED0.73
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H,L1YEC0.73
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H1YEE0.73
S2DN-BENZOYL-D-ALANINEA,B2JCI0.76
TNSA,B,L2G2R0.71
KYNKYNURENINEA,B,C,D2R2N0.71
KYNKYNURENINEA,B3E2Z0.71
KYNKYNURENINEA1XT70.71
KYNKYNURENINEA1T5M0.71
KYNKYNURENINEA1T5N0.71
KYNKYNURENINEA2VOV0.71
KYNKYNURENINEA2VOX0.71
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,D1LS30.73
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE
A1B9V0.72
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.74
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.74
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.74
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE
B2FP70.71
TP4N-[4-[[GLUTAMIC ACID]-CARBONYL]-
BENZENE-SULFONYL-D-PROLINYL]-3-
AMINO-PROPANOIC ACID
A,B1F4G0.72
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
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.76
DHFDIHYDROFOLIC ACIDA1LCB0.76
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.76
DHFDIHYDROFOLIC ACIDA2RK10.76
DHFDIHYDROFOLIC ACIDA1RF70.76
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.76
DHFDIHYDROFOLIC ACIDA1TYS0.76
23IN-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-
5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-
2-METHYLPROPYL}AMINO)-4-METHYL-
5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
A,B,C,D2P4J0.71
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.71
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.72
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.73
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.73
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2AAZ0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.73
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.71
TP34-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-
SULFONYL-D-PROLINE
A,B1F4F0.73
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid
A3D7H0.77
FONFOLINIC ACIDA,B1QD10.75
FONFOLINIC ACIDA,B2BLN0.75
FONFOLINIC ACIDA,B,C,D1VRQ0.75
FONFOLINIC ACIDA,B1KL20.75
FONFOLINIC ACIDA,B1XZQ0.75
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A3GQZ0.73
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.79
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.79
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.79
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.79
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.79
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.79
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.79
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.71
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.74
4NB4-NITROBENZOIC ACIDA,B3CHT0.71
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.75
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.71
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.71
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
A1VCJ0.72
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID
A,B2BBQ0.71
NHS10-FORMYL-5,8,10-TRIDEAZAFOLIC ACIDA,B1C2T0.71
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.85
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,B1NJS0.71
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,D1RBY0.71
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,D1RBQ0.71
MNIN-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}-
4-(DIMETHYLAMINO)BENZAMIDE
A,B2OYM0.73
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.74
PPNPARA-NITROPHENYLALANINEI1YTJ0.78
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
N1MMJ0.71
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A1SLN0.7
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A2SRT0.7
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A3BG80.7
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.74
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.74
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.74
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.74
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.74
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.74
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.74
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.71
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.77
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.77
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.77
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.77
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.77
L04A1HFS0.71
GNBS-P-NITROBENZYLOXYCARBONYLGLUTATHIONEA,B,C,D1QIP0.71
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.71
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.71
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.71
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.71
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.71
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.7
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.71
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.71
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.71
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.73
NBYN-{[(4-nitrophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN80.75
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.71
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1BJG0.71
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1JBW0.71
TMF5,10-METHYLENE-6-HYDROFOLIC ACIDA1LCE0.71
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.71
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine
A3BKK0.74
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
A,B,C2FDP0.7
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
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE
C2IPK0.74
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPM0.75
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.76
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.76
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.76
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.76
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.76
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.76
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.76
AAHH1KEL0.72
AAHB,H1FL60.72
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.7
TSNTRICHOSTATIN AA,B1T640.7
TSNTRICHOSTATIN AA,B1C3R0.7
TSNTRICHOSTATIN AA,B,C3F0R0.7
TSNTRICHOSTATIN AA,B,C3C100.7