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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00869689

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.73
BZQDIPHENYLMETHANONEA,B1GT50.82
BZQDIPHENYLMETHANONEA,B1DZP0.82
FLPFLURBIPROFENA,B,C,D3PGH0.72
FLPFLURBIPROFENA,B1CQE0.72
FLPFLURBIPROFENA,B1EQH0.72
FLPFLURBIPROFENA,B2AYL0.72
FLPFLURBIPROFENA1DVT0.72
FLPFLURBIPROFENA1R9O0.72
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.74
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.73
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.77
IBPIBUPROFENA3FKX0.74
IBPIBUPROFENA,B2BXG0.74
IBPIBUPROFENA,B1EQG0.74
IBPIBUPROFENA,B,C2WD90.74
IBPIBUPROFENA2PWS0.74
BDBA,B1KE30.73
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.74
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.8
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.83
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.83
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.83
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.83
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
1QZV0.83
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.75
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.75
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.73
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.71
HY1PHENYLACETALDEHYDED,H2I0S0.78
HY1PHENYLACETALDEHYDEA,B1D6Y0.78
HY1PHENYLACETALDEHYDEA,B1D6Z0.78
HY1PHENYLACETALDEHYDED,H2OK40.78
HY1PHENYLACETALDEHYDEA,B1D6U0.78
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.73
FPRPROPYLBENZENEC1RHK0.72
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.7
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.7
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.7
CLT4-PHENYL-BUTANOIC ACIDA1THL0.7
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.7
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.7
I4BISOBUTYLBENZENEA184L0.75
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.82
OXEORTHO-XYLENEA,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.71
1LPTRANYLCYPROMINEA,B1OJB0.83
MQ9MENAQUINONE-9C,H,L,M3D380.81
MQ9MENAQUINONE-9C,H,L,M1VRN0.81
MQ9MENAQUINONE-9C,H,L,M2I5N0.81
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.81
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.75
DFADIPHENYLACETIC ACIDA,B,C1GMY0.74
3PL3-PHENYLPROPANALE1Y3G0.78
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.71
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.71
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.71
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.71
MQ7MENAQUINONE-7C,H,L,M1PRC0.81
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.81
MQ7MENAQUINONE-7C,H,L,M5PRC0.81
MQ7MENAQUINONE-7C,H,L,M7PRC0.81
MQ7MENAQUINONE-7C,H,L,M2PRC0.81
MQ7MENAQUINONE-7C,H,L,M1R2C0.81
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.81
MQ7MENAQUINONE-7C,H,L,M3PRC0.81
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.81
MQ7MENAQUINONE-7C,H,L,M2JBL0.81
MQ7MENAQUINONE-7C,H,L,M6PRC0.81
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.76
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.7
ANQACENAPHTHENEQUINONEH,J1OAX0.75
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
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.7
AC01-PHENYLETHANONEA1ZK10.8
AC01-PHENYLETHANONEA1ZK40.8
N4BN-BUTYLBENZENEA186L0.72
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.71
BFLA,B1Q4G0.74
MQ8MENAQUINONE 8C,H,L,M1EYS0.81
PHMPHENYLALANYLMETHANEA,I1PJP0.72
PHMPHENYLALANYLMETHANEA,B,C2J9J0.72
PHMPHENYLALANYLMETHANEA,B,C2JE40.72
VK3MENADIONEA1TUV0.77
VK3MENADIONEA,B2QR20.77