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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03229778

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBPIBUPROFENA3FKX0.73
IBPIBUPROFENA,B2BXG0.73
IBPIBUPROFENA,B1EQG0.73
IBPIBUPROFENA,B,C2WD90.73
IBPIBUPROFENA2PWS0.73
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.7
BFLA,B1Q4G0.76
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.73
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.73
MQ9MENAQUINONE-9C,H,L,M3D380.78
MQ9MENAQUINONE-9C,H,L,M1VRN0.78
MQ9MENAQUINONE-9C,H,L,M2I5N0.78
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.78
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.79
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.77
EQUEQUILENINA,B1OGX0.73
EQUEQUILENINA,B,C,D,E,F1QJG0.73
EQUEQUILENINA,B1OH00.73
EQUEQUILENINA1W6Y0.73
EQUEQUILENINA,B1CQS0.73
EQUEQUILENINA1OGZ0.73
EQUEQUILENINA1GS30.73
EQUEQUILENINA1OHO0.73
MQ7MENAQUINONE-7C,H,L,M1PRC0.78
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.78
MQ7MENAQUINONE-7C,H,L,M5PRC0.78
MQ7MENAQUINONE-7C,H,L,M7PRC0.78
MQ7MENAQUINONE-7C,H,L,M2PRC0.78
MQ7MENAQUINONE-7C,H,L,M1R2C0.78
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.78
MQ7MENAQUINONE-7C,H,L,M3PRC0.78
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.78
MQ7MENAQUINONE-7C,H,L,M2JBL0.78
MQ7MENAQUINONE-7C,H,L,M6PRC0.78
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.7
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.7
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.73
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.73
ANQACENAPHTHENEQUINONEH,J1OAX0.8
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.73
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.76
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.8
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.8
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.8
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.8
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
1QZV0.8
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.75
MQ8MENAQUINONE 8C,H,L,M1EYS0.78
FLPFLURBIPROFENA,B,C,D3PGH0.73
FLPFLURBIPROFENA,B1CQE0.73
FLPFLURBIPROFENA,B1EQH0.73
FLPFLURBIPROFENA,B2AYL0.73
FLPFLURBIPROFENA1DVT0.73
FLPFLURBIPROFENA1R9O0.73
AC01-PHENYLETHANONEA1ZK10.74
AC01-PHENYLETHANONEA1ZK40.74
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.75
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.82
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.71
TRZTRAZEOLIDEA1C120.72
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.79
1LPTRANYLCYPROMINEA,B1OJB0.72
DFADIPHENYLACETIC ACIDA,B,C1GMY0.73
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.79
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.79
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.77
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.78
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.78
PEYPHENANTHRENEA,B2HML0.72
PEYPHENANTHRENEA,B2HMK0.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.7
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.7
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.7
BZQDIPHENYLMETHANONEA,B1GT50.77
BZQDIPHENYLMETHANONEA,B1DZP0.77
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.74
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.74
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.73
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.72
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
AN3ANTHRACENEA,B2HMN0.72
AN3ANTHRACENEA,B2HMM0.72
NPYNAPHTHALENEA,B1O7G0.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.74
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.8
VK3MENADIONEA1TUV0.77
VK3MENADIONEA,B2QR20.77