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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02154149

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.76
ANQACENAPHTHENEQUINONEH,J1OAX0.71
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.72
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.77
EQUEQUILENINA,B1OGX0.75
EQUEQUILENINA,B,C,D,E,F1QJG0.75
EQUEQUILENINA,B1OH00.75
EQUEQUILENINA1W6Y0.75
EQUEQUILENINA,B1CQS0.75
EQUEQUILENINA1OGZ0.75
EQUEQUILENINA1GS30.75
EQUEQUILENINA1OHO0.75
FLPFLURBIPROFENA,B,C,D3PGH0.7
FLPFLURBIPROFENA,B1CQE0.7
FLPFLURBIPROFENA,B1EQH0.7
FLPFLURBIPROFENA,B2AYL0.7
FLPFLURBIPROFENA1DVT0.7
FLPFLURBIPROFENA1R9O0.7
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.78
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.7
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
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.71
TRZTRAZEOLIDEA1C120.8
IBPIBUPROFENA3FKX0.72
IBPIBUPROFENA,B2BXG0.72
IBPIBUPROFENA,B1EQG0.72
IBPIBUPROFENA,B,C2WD90.72
IBPIBUPROFENA2PWS0.72
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.74
L79(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-
1-BENZOFURAN-2-YL]-2-PROPENOIC ACID
A,D1RDT0.71
AS04-[(11BETA,17BETA)-17-METHOXY-17-
(METHOXYMETHYL)-3-OXOESTRA-4,9-
DIEN-11-YL]BENZALDEHYDE OXIME
A2OVH0.76
AS04-[(11BETA,17BETA)-17-METHOXY-17-
(METHOXYMETHYL)-3-OXOESTRA-4,9-
DIEN-11-YL]BENZALDEHYDE OXIME
A2OVM0.76
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.75
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
ENM(5S,8R,9S,10S,13R,14S,17S)-13-{2-
[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-
17-HYDROXY-10-METHYLHEXADECAHYDRO-
3H-CYCLOPENTA[A]PHENANTHREN-3-ONE
A2PNU0.79
MQ9MENAQUINONE-9C,H,L,M3D380.71
MQ9MENAQUINONE-9C,H,L,M1VRN0.71
MQ9MENAQUINONE-9C,H,L,M2I5N0.71
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.71
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.79
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.79
OX1H,Y1LO20.73
BFLA,B1Q4G0.72
MQ7MENAQUINONE-7C,H,L,M1PRC0.71
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.71
MQ7MENAQUINONE-7C,H,L,M5PRC0.71
MQ7MENAQUINONE-7C,H,L,M7PRC0.71
MQ7MENAQUINONE-7C,H,L,M2PRC0.71
MQ7MENAQUINONE-7C,H,L,M1R2C0.71
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.71
MQ7MENAQUINONE-7C,H,L,M3PRC0.71
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.71
MQ7MENAQUINONE-7C,H,L,M2JBL0.71
MQ7MENAQUINONE-7C,H,L,M6PRC0.71
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.76
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
EQIEQUILINA,B1EQU0.76
ESOO3-PHOSPHONOESTRONEB,C1ESS0.74
E043-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-
17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN
A1ZQ50.75
CLT4-PHENYL-BUTANOIC ACIDA1THL0.71
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.71
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.71
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.73
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.73
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.73
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.73
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
1QZV0.73
48611-(4-DIMETHYLAMINO-PHENYL)-17-
HYDROXY-13-METHYL-17-PROP-1-YNYL-
1,2,6,7,8,11,12,13,14,15,16,17-
DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-
3-ONE
A1NHZ0.71
48611-(4-DIMETHYLAMINO-PHENYL)-17-
HYDROXY-13-METHYL-17-PROP-1-YNYL-
1,2,6,7,8,11,12,13,14,15,16,17-
DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-
3-ONE
A,B2W8Y0.71
MQ8MENAQUINONE 8C,H,L,M1EYS0.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71