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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00122036

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.75
9AP9-AMINOPHENANTHRENEA1EGY0.72
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.76
3AB3-aminobenzamideA,B,C,D3GOY0.72
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.79
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.79
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.7
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.78
ANCANTHRACEN-1-YLAMINEA,B1GT10.72
ANCANTHRACEN-1-YLAMINEA,B1HN20.72
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.74
AN3ANTHRACENEA,B2HMN0.71
AN3ANTHRACENEA,B2HMM0.71
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.71
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.71
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.71
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.71
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.71
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.71
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.75
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE
D,E,F,G,H,L,
M,N,O,P
1EEF0.73
BHOBENZHYDROXAMIC ACIDA,B1GX20.77
BHOBENZHYDROXAMIC ACIDA1HSR0.77
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.77
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.77
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.77
BHOBENZHYDROXAMIC ACIDA3GCK0.77
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.77
R01(4'-{[ALLYL(METHYL)AMINO]METHYL}-
1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE
A,B,C1H350.72
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.72
PEYPHENANTHRENEA,B2HML0.71
PEYPHENANTHRENEA,B2HMK0.71
2396-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE
A1OWH0.72
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.7
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.76
BZQDIPHENYLMETHANONEA,B1GT50.73
BZQDIPHENYLMETHANONEA,B1DZP0.73
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.75
ANQACENAPHTHENEQUINONEH,J1OAX0.75
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.76
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.74
E043-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-
17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN
A1ZQ50.74
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.7
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.83
ALRALRESTATINA1AZ10.73
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.74
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.71
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE
A1OWE0.76
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.72