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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019251

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.76
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.71
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.77
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
MQ9MENAQUINONE-9C,H,L,M3D380.7
MQ9MENAQUINONE-9C,H,L,M1VRN0.7
MQ9MENAQUINONE-9C,H,L,M2I5N0.7
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.7
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.72
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.81
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.81
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.7
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.7
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.71
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.71
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.71
NFAPHENYLALANINE AMIDEA2A4O0.71
NFAPHENYLALANINE AMIDEA,B1XAE0.71
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.71
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.71
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.71
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.72
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.77
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE
A1OWE0.73
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.74
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.74
MQ7MENAQUINONE-7C,H,L,M1PRC0.7
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.7
MQ7MENAQUINONE-7C,H,L,M5PRC0.7
MQ7MENAQUINONE-7C,H,L,M7PRC0.7
MQ7MENAQUINONE-7C,H,L,M2PRC0.7
MQ7MENAQUINONE-7C,H,L,M1R2C0.7
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.7
MQ7MENAQUINONE-7C,H,L,M3PRC0.7
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.7
MQ7MENAQUINONE-7C,H,L,M2JBL0.7
MQ7MENAQUINONE-7C,H,L,M6PRC0.7
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE
D,E,F,G,H,L,
M,N,O,P
1EEF0.74
3AB3-aminobenzamideA,B,C,D3GOY0.74
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.78
NKKN~2~-(naphthalen-2-ylcarbonyl)-
L-lysyl-N-[(1S)-4-carbamimidamido-
1-formylbutyl]-L-lysinamide
B,D3E900.7
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.75
BZQDIPHENYLMETHANONEA,B1GT50.76
BZQDIPHENYLMETHANONEA,B1DZP0.76
MQ8MENAQUINONE 8C,H,L,M1EYS0.7
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.75
BHOBENZHYDROXAMIC ACIDA,B1GX20.8
BHOBENZHYDROXAMIC ACIDA1HSR0.8
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.8
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.8
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.8
BHOBENZHYDROXAMIC ACIDA3GCK0.8
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.8
AC01-PHENYLETHANONEA1ZK10.71
AC01-PHENYLETHANONEA1ZK40.71
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.7
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.73
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.73
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.73
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.72
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.76
ANQACENAPHTHENEQUINONEH,J1OAX0.77
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.74
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.7
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.7
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.7
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.7
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z
1QZV0.7
R01(4'-{[ALLYL(METHYL)AMINO]METHYL}-
1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE
A,B,C1H350.71
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.71
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.71
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.71
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.71
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.74
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.73
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.72
ALRALRESTATINA1AZ10.73
E043-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-
17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN
A1ZQ50.73
VK3MENADIONEA1TUV0.72
VK3MENADIONEA,B2QR20.72
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.82