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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00510795

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,B1KYN0.71
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.7
I4BISOBUTYLBENZENEA184L0.72
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.74
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.73
TRZTRAZEOLIDEA1C120.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.7
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.7
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.7
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
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID		A2CBS0.74
173BENZOYL-FORMIC ACIDA,B1SZE0.7
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.71
OXEORTHO-XYLENEA,B3E0X0.7
OXEORTHO-XYLENEA188L0.7
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.71
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
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.73
HY1PHENYLACETALDEHYDED,H2I0S0.78
HY1PHENYLACETALDEHYDEA,B1D6Y0.78
HY1PHENYLACETALDEHYDEA,B1D6Z0.78
HY1PHENYLACETALDEHYDED,H2OK40.78
HY1PHENYLACETALDEHYDEA,B1D6U0.78
VK3MENADIONEA1TUV0.81
VK3MENADIONEA,B2QR20.81
FPRPROPYLBENZENEC1RHK0.72
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE		H1JGU0.73
CLT4-PHENYL-BUTANOIC ACIDA1THL0.7
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.7
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.7
HBXbenzaldehydeA,B3GDN0.76
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.78
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.75
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.81
3PL3-PHENYLPROPANALE1Y3G0.78
MQ8MENAQUINONE 8C,H,L,M1EYS0.83
BFLA,B1Q4G0.7
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID		A,B,C1R5K0.73
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.71
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.71
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.71
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.71
1LPTRANYLCYPROMINEA,B1OJB0.78
AC01-PHENYLETHANONEA1ZK10.87
AC01-PHENYLETHANONEA1ZK40.87
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.74
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID		A1NQ70.74
BZQDIPHENYLMETHANONEA,B1GT50.89
BZQDIPHENYLMETHANONEA,B1DZP0.89
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.7
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.77
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
N4BN-BUTYLBENZENEA186L0.72
MQ7MENAQUINONE-7C,H,L,M1PRC0.83
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.83
MQ7MENAQUINONE-7C,H,L,M5PRC0.83
MQ7MENAQUINONE-7C,H,L,M7PRC0.83
MQ7MENAQUINONE-7C,H,L,M2PRC0.83
MQ7MENAQUINONE-7C,H,L,M1R2C0.83
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.83
MQ7MENAQUINONE-7C,H,L,M3PRC0.83
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.83
MQ7MENAQUINONE-7C,H,L,M2JBL0.83
MQ7MENAQUINONE-7C,H,L,M6PRC0.83
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.89
BDBA,B1KE30.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.76
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.76
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.76
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
PHMPHENYLALANYLMETHANEA,I1PJP0.72
PHMPHENYLALANYLMETHANEA,B,C2J9J0.72
PHMPHENYLALANYLMETHANEA,B,C2JE40.72
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.8
MQ9MENAQUINONE-9C,H,L,M3D380.83
MQ9MENAQUINONE-9C,H,L,M1VRN0.83
MQ9MENAQUINONE-9C,H,L,M2I5N0.83
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.83