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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02276156

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNSA,B,L2G2R0.76
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
A,L1YED0.73
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H,L1YEC0.73
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H1YEE0.73
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.72
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.72
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.72
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.72
3AB3-aminobenzamideA,B,C,D3GOY0.72
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.73
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.71
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.77
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.75
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE
A1B9V0.72
NBYN-{[(4-nitrophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN80.76
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.78
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.72
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.72
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.76
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.71
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.86
CRIA,B1VKG0.74
NBXN-{[(4-aminophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN90.72
MNIN-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}-
4-(DIMETHYLAMINO)BENZAMIDE
A,B2OYM0.74
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B1KZI0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7Z0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3BHR0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA3GSI0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1M7V0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA,B3BHL0.72
THG(6S)-5,6,7,8-TETRAHYDROFOLATEA1U220.72
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.73
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.73
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.72
PPNPARA-NITROPHENYLALANINEI1YTJ0.8
4NB4-NITROBENZOIC ACIDA,B3CHT0.76
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid
A3D7H0.73
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
A1VCJ0.72
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.75
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.74
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid
A,B3CJ40.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.83
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.83
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.83
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.83
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.83
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.76
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.76
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.76
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.76
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.76
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.76
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.76
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1XI20.74
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1ZX10.74
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1IDT0.74
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B2BZS0.74
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA,B,C,D1EJI0.7
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA1U3G0.7
THF5-HYDROXYMETHYLENE-6-HYDROFOLIC ACIDA2TDD0.7
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.7
TSNTRICHOSTATIN AA,B1T640.76
TSNTRICHOSTATIN AA,B1C3R0.76
TSNTRICHOSTATIN AA,B,C3F0R0.76
TSNTRICHOSTATIN AA,B,C3C100.76
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.7
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.78
GBS4-GUANIDINOBENZOIC ACIDX2AH40.7
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.7
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.7
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.7
FONFOLINIC ACIDA,B1QD10.71
FONFOLINIC ACIDA,B2BLN0.71
FONFOLINIC ACIDA,B,C,D1VRQ0.71
FONFOLINIC ACIDA,B1KL20.71
FONFOLINIC ACIDA,B1XZQ0.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.72
GAB3-AMINOBENZOIC ACIDA,B3GSB0.72
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.72
GAB3-AMINOBENZOIC ACIDA3FHB0.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.75
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID
A1ZLY0.75
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.71
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.71
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.71
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.71
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.71
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.71
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.71
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.71
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.71
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.71
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.71
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.73
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.72
DHFDIHYDROFOLIC ACIDA1LCB0.72
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.72
DHFDIHYDROFOLIC ACIDA2RK10.72
DHFDIHYDROFOLIC ACIDA1RF70.72
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.72
DHFDIHYDROFOLIC ACIDA1TYS0.72
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.75
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE
B2FP70.7
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.72
HFTHYDROXYFLUTAMIDEA2AX60.71
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.71
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.71
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.72
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE
C2IPK0.77
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A3GQZ0.79
KYNKYNURENINEA,B,C,D2R2N0.72
KYNKYNURENINEA,B3E2Z0.72
KYNKYNURENINEA1XT70.72
KYNKYNURENINEA1T5M0.72
KYNKYNURENINEA1T5N0.72
KYNKYNURENINEA2VOV0.72
KYNKYNURENINEA2VOX0.72
S2DN-BENZOYL-D-ALANINEA,B2JCI0.77
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPM0.78
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.71
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.76
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine
A3BKK0.73
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.7
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.72
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.74
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.76
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.77
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.77
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.77
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.77
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.72
BEL2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-
N-(2',3'-DIOXOPROPYL)BENZAMIDE
A,B1OON0.72
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.72
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID
A3G5R0.72
THLN-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-
HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-
L-GLUTAMIC ACID
A1WOO0.72
SN25-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-
DINTRO-BENZAMIDE
A,B1OO60.72
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.71
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.7
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.7
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.7
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.7
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.7
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.7
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.7
PAB4-AMINOBENZOIC ACIDA1PBD0.72
PAB4-AMINOBENZOIC ACIDB2DZA0.72
PAB4-AMINOBENZOIC ACIDA1IUS0.72
PAB4-AMINOBENZOIC ACIDA1IUU0.72
PAB4-AMINOBENZOIC ACIDA1IUT0.72
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
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.7
AAHH1KEL0.77
AAHB,H1FL60.77