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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03746737

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.7
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.72
HY1PHENYLACETALDEHYDED,H2I0S0.75
HY1PHENYLACETALDEHYDEA,B1D6Y0.75
HY1PHENYLACETALDEHYDEA,B1D6Z0.75
HY1PHENYLACETALDEHYDED,H2OK40.75
HY1PHENYLACETALDEHYDEA,B1D6U0.75
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.81
3PL3-PHENYLPROPANALE1Y3G0.76
1LPTRANYLCYPROMINEA,B1OJB0.76
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.74
5PV5-PHENYLVALERIC ACIDA,B2AY90.7
I4BISOBUTYLBENZENEA184L0.72
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.72
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.72
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.71
BZQDIPHENYLMETHANONEA,B1GT50.79
BZQDIPHENYLMETHANONEA,B1DZP0.79
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.71
AC01-PHENYLETHANONEA1ZK10.85
AC01-PHENYLETHANONEA1ZK40.85
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.7
VK3MENADIONEA1TUV0.81
VK3MENADIONEA,B2QR20.81
FPRPROPYLBENZENEC1RHK0.72
CLT4-PHENYL-BUTANOIC ACIDA1THL0.7
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.7
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.7
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.72
MBNTOLUENEA,B3D7O0.71
MBNTOLUENEA,B1R1X0.71
MBNTOLUENEA,B1JLX0.71
MBNTOLUENEA,B,C,D3D170.71
MBNTOLUENEA,B2VRL0.71
MBNTOLUENEA,I2Z3E0.71
MBNTOLUENEA,B1YZI0.71
MBNTOLUENEA,B2DN10.71
MBNTOLUENEA,B3EN10.71
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.81
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.71
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.71
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.71
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.71
MQ9MENAQUINONE-9C,H,L,M3D380.76
MQ9MENAQUINONE-9C,H,L,M1VRN0.76
MQ9MENAQUINONE-9C,H,L,M2I5N0.76
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.76
HBXbenzaldehydeA,B3GDN0.75
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.76
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.73
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.73
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.73
MQ7MENAQUINONE-7C,H,L,M1PRC0.76
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.76
MQ7MENAQUINONE-7C,H,L,M5PRC0.76
MQ7MENAQUINONE-7C,H,L,M7PRC0.76
MQ7MENAQUINONE-7C,H,L,M2PRC0.76
MQ7MENAQUINONE-7C,H,L,M1R2C0.76
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.76
MQ7MENAQUINONE-7C,H,L,M3PRC0.76
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.76
MQ7MENAQUINONE-7C,H,L,M2JBL0.76
MQ7MENAQUINONE-7C,H,L,M6PRC0.76
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.78
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.78
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.78
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.78
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
1QZV0.78
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
PHMPHENYLALANYLMETHANEA,I1PJP0.7
PHMPHENYLALANYLMETHANEA,B,C2J9J0.7
PHMPHENYLALANYLMETHANEA,B,C2JE40.7
N4BN-BUTYLBENZENEA186L0.72
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
MQ8MENAQUINONE 8C,H,L,M1EYS0.76