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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00432054

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.75
MQ7MENAQUINONE-7C,H,L,M1PRC0.72
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.72
MQ7MENAQUINONE-7C,H,L,M5PRC0.72
MQ7MENAQUINONE-7C,H,L,M7PRC0.72
MQ7MENAQUINONE-7C,H,L,M2PRC0.72
MQ7MENAQUINONE-7C,H,L,M1R2C0.72
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.72
MQ7MENAQUINONE-7C,H,L,M3PRC0.72
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.72
MQ7MENAQUINONE-7C,H,L,M2JBL0.72
MQ7MENAQUINONE-7C,H,L,M6PRC0.72
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.71
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.77
MQ9MENAQUINONE-9C,H,L,M3D380.72
MQ9MENAQUINONE-9C,H,L,M1VRN0.72
MQ9MENAQUINONE-9C,H,L,M2I5N0.72
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.72
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.74
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE
D,E,F,G,H,L,
M,N,O,P
1EEF0.74
MQ8MENAQUINONE 8C,H,L,M1EYS0.72
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.79
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.74
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.74
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.73
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.72
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.72
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.72
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.72
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
1QZV0.72
BZQDIPHENYLMETHANONEA,B1GT50.74
BZQDIPHENYLMETHANONEA,B1DZP0.74
ALRALRESTATINA1AZ10.72
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.79
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.72
VK3MENADIONEA1TUV0.74
VK3MENADIONEA,B2QR20.74
ANQACENAPHTHENEQUINONEH,J1OAX0.75
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.76
R01(4'-{[ALLYL(METHYL)AMINO]METHYL}-
1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE
A,B,C1H350.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.7
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.7
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.82
BHOBENZHYDROXAMIC ACIDA,B1GX20.76
BHOBENZHYDROXAMIC ACIDA1HSR0.76
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.76
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.76
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.76
BHOBENZHYDROXAMIC ACIDA3GCK0.76
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.76
E043-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-
17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN
A1ZQ50.74
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.73
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.73
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.73
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.73