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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02300375

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.75
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.88
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.74
HCIHYDROCINNAMIC ACIDA,B1BXG0.73
HCIHYDROCINNAMIC ACIDA,B1TOG0.73
HCIHYDROCINNAMIC ACIDA,B1V2F0.73
HCIHYDROCINNAMIC ACIDA,B1AHX0.73
HCIHYDROCINNAMIC ACIDA1TOI0.73
HCIHYDROCINNAMIC ACIDA,B1AY80.73
HCIHYDROCINNAMIC ACIDA1TOJ0.73
FPRPROPYLBENZENEC1RHK0.74
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.78
3PL3-PHENYLPROPANALE1Y3G0.8
CLT4-PHENYL-BUTANOIC ACIDA1THL0.72
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.72
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.72
I4BISOBUTYLBENZENEA184L0.74
VK3MENADIONEA1TUV0.81
VK3MENADIONEA,B2QR20.81
5PV5-PHENYLVALERIC ACIDA,B2AY90.74
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.7
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.74
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.74
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.8
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.8
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.8
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.8
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
1QZV0.8
IBPIBUPROFENA3FKX0.77
IBPIBUPROFENA,B2BXG0.77
IBPIBUPROFENA,B1EQG0.77
IBPIBUPROFENA,B,C2WD90.77
IBPIBUPROFENA2PWS0.77
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.74
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.74
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.74
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.74
DFADIPHENYLACETIC ACIDA,B,C1GMY0.71
PXYPARA-XYLENEA187L0.74
PXYPARA-XYLENEA225L0.74
BZQDIPHENYLMETHANONEA,B1GT50.81
BZQDIPHENYLMETHANONEA,B1DZP0.81
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.82
AC01-PHENYLETHANONEA1ZK10.84
AC01-PHENYLETHANONEA1ZK40.84
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.72
TRZTRAZEOLIDEA1C120.72
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
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.7
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.76
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.81
N4BN-BUTYLBENZENEA186L0.74
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
MQ8MENAQUINONE 8C,H,L,M1EYS0.8
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
HY1PHENYLACETALDEHYDED,H2I0S0.82
HY1PHENYLACETALDEHYDEA,B1D6Y0.82
HY1PHENYLACETALDEHYDEA,B1D6Z0.82
HY1PHENYLACETALDEHYDED,H2OK40.82
HY1PHENYLACETALDEHYDEA,B1D6U0.82
PHMPHENYLALANYLMETHANEA,I1PJP0.74
PHMPHENYLALANYLMETHANEA,B,C2J9J0.74
PHMPHENYLALANYLMETHANEA,B,C2JE40.74
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.71
HBXbenzaldehydeA,B3GDN0.73
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.7
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.7
BFLA,B1Q4G0.73
MQ9MENAQUINONE-9C,H,L,M3D380.8
MQ9MENAQUINONE-9C,H,L,M1VRN0.8
MQ9MENAQUINONE-9C,H,L,M2I5N0.8
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.8
OXEORTHO-XYLENEA,B3E0X0.76
OXEORTHO-XYLENEA188L0.76
DENINDENEA183L0.71
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.76
BDBA,B1KE30.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.72
1LPTRANYLCYPROMINEA,B1OJB0.84
MQ7MENAQUINONE-7C,H,L,M1PRC0.8
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.8
MQ7MENAQUINONE-7C,H,L,M5PRC0.8
MQ7MENAQUINONE-7C,H,L,M7PRC0.8
MQ7MENAQUINONE-7C,H,L,M2PRC0.8
MQ7MENAQUINONE-7C,H,L,M1R2C0.8
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.8
MQ7MENAQUINONE-7C,H,L,M3PRC0.8
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.8
MQ7MENAQUINONE-7C,H,L,M2JBL0.8
MQ7MENAQUINONE-7C,H,L,M6PRC0.8
ANQACENAPHTHENEQUINONEH,J1OAX0.74
PAC2-PHENYLACETIC ACIDB1PNL0.72
PAC2-PHENYLACETIC ACIDB1K5Q0.72
PAC2-PHENYLACETIC ACIDB1FXH0.72
PAC2-PHENYLACETIC ACIDA2ISF0.72
PAC2-PHENYLACETIC ACIDA2INE0.72