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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02999178

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
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.72
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.77
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.71
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.71
VK3MENADIONEA1TUV0.9
VK3MENADIONEA,B2QR20.9
BDBA,B1KE30.74
FLPFLURBIPROFENA,B,C,D3PGH0.72
FLPFLURBIPROFENA,B1CQE0.72
FLPFLURBIPROFENA,B1EQH0.72
FLPFLURBIPROFENA,B2AYL0.72
FLPFLURBIPROFENA1DVT0.72
FLPFLURBIPROFENA1R9O0.72
OXEORTHO-XYLENEA,B3E0X0.73
OXEORTHO-XYLENEA188L0.73
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.87
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.87
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.87
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.87
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
1QZV0.87
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.72
TRZTRAZEOLIDEA1C120.71
HBXbenzaldehydeA,B3GDN0.8
173BENZOYL-FORMIC ACIDA,B1SZE0.74
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.7
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.71
1LPTRANYLCYPROMINEA,B1OJB0.8
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.92
NPYNAPHTHALENEA,B1O7G0.72
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
PHMPHENYLALANYLMETHANEA,I1PJP0.71
PHMPHENYLALANYLMETHANEA,B,C2J9J0.71
PHMPHENYLALANYLMETHANEA,B,C2JE40.71
IBPIBUPROFENA3FKX0.7
IBPIBUPROFENA,B2BXG0.7
IBPIBUPROFENA,B1EQG0.7
IBPIBUPROFENA,B,C2WD90.7
IBPIBUPROFENA2PWS0.7
HY1PHENYLACETALDEHYDED,H2I0S0.78
HY1PHENYLACETALDEHYDEA,B1D6Y0.78
HY1PHENYLACETALDEHYDEA,B1D6Z0.78
HY1PHENYLACETALDEHYDED,H2OK40.78
HY1PHENYLACETALDEHYDEA,B1D6U0.78
FPRPROPYLBENZENEC1RHK0.7
AC01-PHENYLETHANONEA1ZK10.92
AC01-PHENYLETHANONEA1ZK40.92
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.81
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.83
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.72
MQ9MENAQUINONE-9C,H,L,M3D380.87
MQ9MENAQUINONE-9C,H,L,M1VRN0.87
MQ9MENAQUINONE-9C,H,L,M2I5N0.87
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.87
DFADIPHENYLACETIC ACIDA,B,C1GMY0.74
4FCA1YSG0.72
BZQDIPHENYLMETHANONEA,B1GT50.96
BZQDIPHENYLMETHANONEA,B1DZP0.96
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.75
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.71
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.71
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.71
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.71
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.71
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.75
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
MQ7MENAQUINONE-7C,H,L,M1PRC0.87
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.87
MQ7MENAQUINONE-7C,H,L,M5PRC0.87
MQ7MENAQUINONE-7C,H,L,M7PRC0.87
MQ7MENAQUINONE-7C,H,L,M2PRC0.87
MQ7MENAQUINONE-7C,H,L,M1R2C0.87
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.87
MQ7MENAQUINONE-7C,H,L,M3PRC0.87
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.87
MQ7MENAQUINONE-7C,H,L,M2JBL0.87
MQ7MENAQUINONE-7C,H,L,M6PRC0.87
FBCA,B2B9A0.72
I4BISOBUTYLBENZENEA184L0.71
3PL3-PHENYLPROPANALE1Y3G0.77
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.91
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.8
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.8
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.8
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.73
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.9
OSB2-SUCCINYLBENZOATEA1FHV0.73
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.73
OSB2-SUCCINYLBENZOATEA,B2QVH0.73
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.78
ANQACENAPHTHENEQUINONEH,J1OAX0.85
PYLPHENYLETHANEC1B070.7
PYLPHENYLETHANEA,B2VRM0.7
PYLPHENYLETHANEA1NHB0.7
BFLA,B1Q4G0.74
MQ8MENAQUINONE 8C,H,L,M1EYS0.87
N4BN-BUTYLBENZENEA186L0.7
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
26CA,B2F7I0.72
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71