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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02248041

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.76
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.7
MQ8MENAQUINONE 8C,H,L,M1EYS0.93
173BENZOYL-FORMIC ACIDA,B1SZE0.75
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.7
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
VK3MENADIONEA1TUV0.99
VK3MENADIONEA,B2QR20.99
3PL3-PHENYLPROPANALE1Y3G0.76
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.88
5PV5-PHENYLVALERIC ACIDA,B2AY90.7
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.83
AC01-PHENYLETHANONEA1ZK10.91
AC01-PHENYLETHANONEA1ZK40.91
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.83
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.76
MQ7MENAQUINONE-7C,H,L,M1PRC0.93
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.93
MQ7MENAQUINONE-7C,H,L,M5PRC0.93
MQ7MENAQUINONE-7C,H,L,M7PRC0.93
MQ7MENAQUINONE-7C,H,L,M2PRC0.93
MQ7MENAQUINONE-7C,H,L,M1R2C0.93
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.93
MQ7MENAQUINONE-7C,H,L,M3PRC0.93
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.93
MQ7MENAQUINONE-7C,H,L,M2JBL0.93
MQ7MENAQUINONE-7C,H,L,M6PRC0.93
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.73
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.73
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.73
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.73
HBXbenzaldehydeA,B3GDN0.79
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.76
MQ9MENAQUINONE-9C,H,L,M3D380.93
MQ9MENAQUINONE-9C,H,L,M1VRN0.93
MQ9MENAQUINONE-9C,H,L,M2I5N0.93
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.93
HY1PHENYLACETALDEHYDED,H2I0S0.77
HY1PHENYLACETALDEHYDEA,B1D6Y0.77
HY1PHENYLACETALDEHYDEA,B1D6Z0.77
HY1PHENYLACETALDEHYDED,H2OK40.77
HY1PHENYLACETALDEHYDEA,B1D6U0.77
CLT4-PHENYL-BUTANOIC ACIDA1THL0.7
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.7
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.7
OXEORTHO-XYLENEA,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
BZQDIPHENYLMETHANONEA,B1GT50.88
BZQDIPHENYLMETHANONEA,B1DZP0.88
ANQACENAPHTHENEQUINONEH,J1OAX0.82
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.74
1LPTRANYLCYPROMINEA,B1OJB0.77
TRZTRAZEOLIDEA1C120.7
PHTPHTHALIC ACIDA,B,C2B7P0.7
PHTPHTHALIC ACIDA3C2V0.7
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.7
PHTPHTHALIC ACIDA,B3C2R0.7
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.8
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.8
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.8
OSB2-SUCCINYLBENZOATEA1FHV0.72
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.72
OSB2-SUCCINYLBENZOATEA,B2QVH0.72
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.88
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.93
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.93
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.93
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.93
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
1QZV0.93
PAC2-PHENYLACETIC ACIDB1PNL0.7
PAC2-PHENYLACETIC ACIDB1K5Q0.7
PAC2-PHENYLACETIC ACIDB1FXH0.7
PAC2-PHENYLACETIC ACIDA2ISF0.7
PAC2-PHENYLACETIC ACIDA2INE0.7
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.99
HCIHYDROCINNAMIC ACIDA,B1BXG0.71
HCIHYDROCINNAMIC ACIDA,B1TOG0.71
HCIHYDROCINNAMIC ACIDA,B1V2F0.71
HCIHYDROCINNAMIC ACIDA,B1AHX0.71
HCIHYDROCINNAMIC ACIDA1TOI0.71
HCIHYDROCINNAMIC ACIDA,B1AY80.71
HCIHYDROCINNAMIC ACIDA1TOJ0.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.73
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.74