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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01725788

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.76
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.7
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.7
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.7
FLPFLURBIPROFENA,B,C,D3PGH0.72
FLPFLURBIPROFENA,B1CQE0.72
FLPFLURBIPROFENA,B1EQH0.72
FLPFLURBIPROFENA,B2AYL0.72
FLPFLURBIPROFENA1DVT0.72
FLPFLURBIPROFENA1R9O0.72
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
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.74
PMAPYROMELLITIC ACIDA,B1FUP0.72
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.78
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.72
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.72
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.72
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.72
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
4FCA1YSG0.76
EQUEQUILENINA,B1OGX0.73
EQUEQUILENINA,B,C,D,E,F1QJG0.73
EQUEQUILENINA,B1OH00.73
EQUEQUILENINA1W6Y0.73
EQUEQUILENINA,B1CQS0.73
EQUEQUILENINA1OGZ0.73
EQUEQUILENINA1GS30.73
EQUEQUILENINA1OHO0.73
173BENZOYL-FORMIC ACIDA,B1SZE0.74
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
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.81
HCIHYDROCINNAMIC ACIDA,B1BXG0.7
HCIHYDROCINNAMIC ACIDA,B1TOG0.7
HCIHYDROCINNAMIC ACIDA,B1V2F0.7
HCIHYDROCINNAMIC ACIDA,B1AHX0.7
HCIHYDROCINNAMIC ACIDA1TOI0.7
HCIHYDROCINNAMIC ACIDA,B1AY80.7
HCIHYDROCINNAMIC ACIDA1TOJ0.7
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID
A1BZJ0.76
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
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A1MVC0.72
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID
A,C,E,G1MZN0.72
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.72
ANQACENAPHTHENEQUINONEH,J1OAX0.8
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.75
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.84
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.81
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.81
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.82
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.82
MQ8MENAQUINONE 8C,H,L,M1EYS0.7
OSB2-SUCCINYLBENZOATEA1FHV0.78
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.78
OSB2-SUCCINYLBENZOATEA,B2QVH0.78
26CA,B2F7I0.75
DFADIPHENYLACETIC ACIDA,B,C1GMY0.74
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.73
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.73
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.73
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.73
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
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.72
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.72
VK3MENADIONEA1TUV0.7
VK3MENADIONEA,B2QR20.7
OX1H,Y1LO20.72
PAC2-PHENYLACETIC ACIDB1PNL0.7
PAC2-PHENYLACETIC ACIDB1K5Q0.7
PAC2-PHENYLACETIC ACIDB1FXH0.7
PAC2-PHENYLACETIC ACIDA2ISF0.7
PAC2-PHENYLACETIC ACIDA2INE0.7
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.73
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.73
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.83
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
FBCA,B2B9A0.75
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.7
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.81
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.8
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.76
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.85
PHTPHTHALIC ACIDA,B,C2B7P0.73
PHTPHTHALIC ACIDA3C2V0.73
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.73
PHTPHTHALIC ACIDA,B3C2R0.73
973(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-
5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-
ONE
A2Q850.72
BZQDIPHENYLMETHANONEA,B1GT50.7
BZQDIPHENYLMETHANONEA,B1DZP0.7
TRZTRAZEOLIDEA1C120.85
CLT4-PHENYL-BUTANOIC ACIDA1THL0.71
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.71
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.83
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.83
BFLA,B1Q4G0.74
E043-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-
17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN
A1ZQ50.73
BZSL-BENZYLSUCCINIC ACIDA1CBX0.72
BZSL-BENZYLSUCCINIC ACIDA1HYT0.72
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.72
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.7
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.75