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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019113

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1LPTRANYLCYPROMINEA,B1OJB0.87
173BENZOYL-FORMIC ACIDA,B1SZE0.73
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.71
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.71
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.88
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.79
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid		A2RHW0.71
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.74
VK3MENADIONEA1TUV0.83
VK3MENADIONEA,B2QR20.83
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.8
BDBA,B1KE30.75
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.73
MBNTOLUENEA,B3D7O0.75
MBNTOLUENEA,B1R1X0.75
MBNTOLUENEA,B1JLX0.75
MBNTOLUENEA,B,C,D3D170.75
MBNTOLUENEA,B2VRL0.75
MBNTOLUENEA,I2Z3E0.75
MBNTOLUENEA,B1YZI0.75
MBNTOLUENEA,B2DN10.75
MBNTOLUENEA,B3EN10.75
AC01-PHENYLETHANONEA1ZK10.89
AC01-PHENYLETHANONEA1ZK40.89
HY1PHENYLACETALDEHYDED,H2I0S0.86
HY1PHENYLACETALDEHYDEA,B1D6Y0.86
HY1PHENYLACETALDEHYDEA,B1D6Z0.86
HY1PHENYLACETALDEHYDED,H2OK40.86
HY1PHENYLACETALDEHYDEA,B1D6U0.86
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.77
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.77
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.77
FPRPROPYLBENZENEC1RHK0.78
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.73
CLT4-PHENYL-BUTANOIC ACIDA1THL0.78
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.78
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.72
7912-PHENYLMALONIC ACIDA1O4P0.75
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
FLPFLURBIPROFENA,B,C,D3PGH0.73
FLPFLURBIPROFENA,B1CQE0.73
FLPFLURBIPROFENA,B1EQH0.73
FLPFLURBIPROFENA,B2AYL0.73
FLPFLURBIPROFENA1DVT0.73
FLPFLURBIPROFENA1R9O0.73
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.82
I4BISOBUTYLBENZENEA184L0.79
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.8
PXYPARA-XYLENEA187L0.76
PXYPARA-XYLENEA225L0.76
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.71
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.71
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one		A,B3DEA0.72
MQ8MENAQUINONE 8C,H,L,M1EYS0.8
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.7
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.7
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.7
NFAPHENYLALANINE AMIDEA2A4O0.7
NFAPHENYLALANINE AMIDEA,B1XAE0.7
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.7
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.7
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.7
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.8
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.74
BZSL-BENZYLSUCCINIC ACIDA1CBX0.74
BZSL-BENZYLSUCCINIC ACIDA1HYT0.74
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.74
DFADIPHENYLACETIC ACIDA,B,C1GMY0.75
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.74
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.8
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.8
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		1VQ60.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQP0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z		1VQN0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.8
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.8
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.8
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.8
PAC2-PHENYLACETIC ACIDB1PNL0.78
PAC2-PHENYLACETIC ACIDB1K5Q0.78
PAC2-PHENYLACETIC ACIDB1FXH0.78
PAC2-PHENYLACETIC ACIDA2ISF0.78
PAC2-PHENYLACETIC ACIDA2INE0.78
3PL3-PHENYLPROPANALE1Y3G0.85
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
5PV5-PHENYLVALERIC ACIDA,B2AY90.8
OXEORTHO-XYLENEA,B3E0X0.76
OXEORTHO-XYLENEA188L0.76
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid		A2RHT0.72
HBXbenzaldehydeA,B3GDN0.77
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.8
PHAPHENYLALANINALA,B1OB20.7
PHAPHENYLALANINALV,Y,Z2WDG0.7
PHAPHENYLALANINALV,Y,Z2WDK0.7
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.7
PHAPHENYLALANINALP3SGA0.7
PHAPHENYLALANINALA,B,C,D,E,F1OB50.7
PHAPHENYLALANINALV,Y,Z2WDM0.7
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.7
PHAPHENYLALANINALA,B1KDV0.7
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.7
PHAPHENYLALANINALA,B1KDY0.7
PHAPHENYLALANINALV,Y,Z3FIC0.7
PHAPHENYLALANINALV,Y,Z2WDH0.7
PHAPHENYLALANINALA,B1KE20.7
PYLPHENYLETHANEC1B070.78
PYLPHENYLETHANEA,B2VRM0.78
PYLPHENYLETHANEA1NHB0.78
BFLA,B1Q4G0.75
DENINDENEA183L0.71
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.76
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.72
BZQDIPHENYLMETHANONEA,B1GT50.86
BZQDIPHENYLMETHANONEA,B1DZP0.86
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H		2O780.7
HCIHYDROCINNAMIC ACIDA,B1BXG0.79
HCIHYDROCINNAMIC ACIDA,B1TOG0.79
HCIHYDROCINNAMIC ACIDA,B1V2F0.79
HCIHYDROCINNAMIC ACIDA,B1AHX0.79
HCIHYDROCINNAMIC ACIDA1TOI0.79
HCIHYDROCINNAMIC ACIDA,B1AY80.79
HCIHYDROCINNAMIC ACIDA1TOJ0.79
N4BN-BUTYLBENZENEA186L0.78
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
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.83
PHMPHENYLALANYLMETHANEA,I1PJP0.77
PHMPHENYLALANYLMETHANEA,B,C2J9J0.77
PHMPHENYLALANYLMETHANEA,B,C2JE40.77
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.72
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P		1GUL0.71
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.8
ANQACENAPHTHENEQUINONEH,J1OAX0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.79
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.79
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.79