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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00693078

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CLMCHLORAMPHENICOLA1K010.73
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1NJI0.73
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.73
CLMCHLORAMPHENICOLA2XAT0.73
CLMCHLORAMPHENICOLA4CLA0.73
CLMCHLORAMPHENICOLA1CLA0.73
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.73
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.73
CLMCHLORAMPHENICOLA,B2UXP0.73
CLMCHLORAMPHENICOLA1QHS0.73
CLMCHLORAMPHENICOLA1QHY0.73
CLMCHLORAMPHENICOLA3CLA0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.81
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.81
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.81
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.81
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.81
HFTHYDROXYFLUTAMIDEA2AX60.77
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid		A3GQZ0.7
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION		H1A6W0.7
CM8N-[(1S,2R)-1-benzyl-2-hydroxy-3-
{[3-(trifluoromethyl)benzyl]amino}propyl]-
3-(1,1-dioxido-1,2-thiazinan-2-
yl)-5-(ethylamino)benzamide		A2VNM0.7
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.74
4BMN-{[(2R)-2,3-dihydroxypropyl]oxy}-
3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide		A3EQG0.73
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1XI20.72
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1ZX10.72
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1IDT0.72
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B2BZS0.72
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM		H,L,X,Y1UWG0.77
VG0N-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(1,1,5-trimethylhexyl)amino]propyl}-
3-(ethylamino)-5-(2-oxopyrrolidin-
1-yl)benzamide		A2VIE0.76
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID		A2F700.73
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE		A1BSK0.74
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE		A1BSJ0.74
NID4-NITRO-INDEN-1-ONEA,B1DOH0.72
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.74
3AB3-aminobenzamideA,B,C,D3GOY0.74
NBXN-{[(4-aminophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine		A2QN90.73
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.74
3BN3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-
(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-
5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE		A2B8V0.73
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE		A5TLN0.74
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION		H,I,J1A6V0.72
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.71
CRIA,B1VKG0.77
C90N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-
4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide		A2JT20.73
VG5N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxo-2,3-dihydro-1H-pyrrol-
1-yl)benzamide		A2VJ60.75
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE		A2AX90.74
BEL2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-
N-(2',3'-DIOXOPROPYL)BENZAMIDE		A,B1OON0.73
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.7
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
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.76
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.74
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL		A,B2G700.73
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.81
5HAN-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-
2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE		A2B8L0.74
NBYN-{[(4-nitrophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine		A2QN80.77
MRA2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-
3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE		A2P550.71
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE		C2IPK0.72
TSNTRICHOSTATIN AA,B1T640.75
TSNTRICHOSTATIN AA,B1C3R0.75
TSNTRICHOSTATIN AA,B,C3F0R0.75
TSNTRICHOSTATIN AA,B,C3C100.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.73
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.7
MNIN-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}-
4-(DIMETHYLAMINO)BENZAMIDE		A,B2OYM0.76
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE		A1WDA0.72
S2DN-BENZOYL-D-ALANINEA,B2JCI0.75
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,		A1WAX0.7
PPNPARA-NITROPHENYLALANINEI1YTJ0.73
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.78
SN25-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-
DINTRO-BENZAMIDE		A,B1OO60.7
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE		A,L1YED0.71
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE		H,L1YEC0.71
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE		H1YEE0.71
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide		A3E9S0.73
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE		H,I1YPM0.75
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,D2P4J0.73
VG7N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxopyrrolidin-1-yl)benzamide		A2VJ90.77
VG6N-[(1S,2R)-1-benzyl-2-hydroxy-3-
{[3-(trifluoromethyl)benzyl]amino}propyl]-
3-(ethylamino)-5-(2-oxopyrrolidin-
1-yl)benzamide		A2VJ70.74