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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00059917

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.72
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER
A2FOV0.71
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER
A,B2FOY0.71
TF14-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-
3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-
1-YL}CARBONYL)BENZONITRILE
A2BU50.71
TF14-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-
3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-
1-YL}CARBONYL)BENZONITRILE
A2BU20.71
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.74
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.7
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.77
EG2AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNX0.76
Y14N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-
3-yl]amino}-1-(cyclohexylmethyl)-
2-oxoethyl]morpholine-4-carboxamide
A,B2R9N0.72
M18{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-
2-yl}methyl (3-chlorophenyl)acetate
H,I3EGK0.72
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.79
SEI1-{3-METHYL-2-[4-(MORPHOLINE-4-
CARBONYL)-BENZOYLAMINO]-BUTYRYL}-
PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-
PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-
AMIDE
A1B0F0.77
SEI1-{3-METHYL-2-[4-(MORPHOLINE-4-
CARBONYL)-BENZOYLAMINO]-BUTYRYL}-
PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-
PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-
AMIDE
A1B0E0.77
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.75
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.76
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.7
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.74
EG1AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNW0.77
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE
A,B1TA20.74
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.7
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.79
ICL[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-
2-METHYL-PROPYL]-CARBAMIC ACID TERT-
BUTYL ESTER
A1INC0.71
NNCO-[2-(1,3-dioxo-1,3-dihydro-2H-
isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate
A2VG50.72
C90N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-
4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide
A2JT20.75
LORLORACABEFA,B1FCN0.71
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.76
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.78
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
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.7
P214-chloro-N-(3-methoxypropyl)-N-
[(3S)-1-(2-phenylethyl)piperidin-
3-yl]benzamide
A2VD40.84
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.72
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.71
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.71
EG3PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDEA1CNY0.74
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.71
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.87
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.72
F55N-{[(4-chlorophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN30.75
B17{1-[4-(AMINOSULFONYL)PHENYL]-11-
[(CARBOXY-KAPPAO)METHYL]-1-OXO-
5,8-DIOXA-2,11-DIAZATRIDECAN-13-
OATO(2-)-KAPPAO~13~}COPPER
A2FOS0.72
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.83
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate
A,C,D,E,G,P,
Q,R,W
3CWB0.74
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.7
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.7
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.77
S2DN-BENZOYL-D-ALANINEA,B2JCI0.74
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.7