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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020788

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BHOBENZHYDROXAMIC ACIDA,B1GX20.73
BHOBENZHYDROXAMIC ACIDA1HSR0.73
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.73
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.73
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.73
BHOBENZHYDROXAMIC ACIDA3GCK0.73
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.73
3G32-[2-(1H-tetrazol-5-yl)ethyl]-1H-
isoindole-1,3(2H)-dione
A,B3G320.75
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A3GQZ0.7
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.77
PYQPYROQUILONA1JA90.7
PYQPYROQUILONA,B,C,D1G0O0.7
ALRALRESTATINA1AZ10.71
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.72
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.72
ISNISATINA,B1OJA0.73
ISNISATINA,B2BK50.73
BM5(R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-
DIHYDROTHIAZOLO[2,3-A]ISOINDOL-
3-CARBOXYLIC ACID METHYL ESTER
A1C0U0.72
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.75
C164-(4-methyl-1,3-dioxo-1,3-dihydro-
2H-isoindol-2-yl)benzonitrile
A3BNZ0.76
NNIO-[2-(1,3-dioxo-1,3-dihydro-2H-
isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate
A2VG70.71
M384-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-
6(11H)-YL)BUTANOATE
A,C1SC70.71
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.73
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE
D,E,F,G,H,L,
M,N,O,P
1EEF0.75
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.77
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.78
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.71
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.71
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE
C2IPK0.72
S2DN-BENZOYL-D-ALANINEA,B2JCI0.73
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.77
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.7
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE
A2Q1B0.72
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE
A2Q380.72
BM1(R)-(+)9B-(3-METHYL)PHENYL-2,3-
DIHYDROTHIAZOLO[2,3-A]ISOINDOL-
5(9BH)-ONE
A1C0T0.78
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.77
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.7