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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02683889

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.72
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.7
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.77
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.77
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.7
B2FPHENYLALANINE BORONIC ACIDA,P1P060.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.7
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.7
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.75
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.7
3575-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-
6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-
2(1H)-ONE
A2BAN0.73
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.71
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.74
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.7
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.77
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.7
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.76
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.7
PEA2-PHENYLETHYLAMINEA1TNJ0.7
PEA2-PHENYLETHYLAMINED,H2HKM0.7
PEA2-PHENYLETHYLAMINEA1UTO0.7
PEA2-PHENYLETHYLAMINEA,B1D6Y0.7
PEA2-PHENYLETHYLAMINEA,B1D6Z0.7
PEA2-PHENYLETHYLAMINEA,B1D6U0.7
PEA2-PHENYLETHYLAMINEA1UTM0.7
271N-methyl-1-phenylmethanamineX2RBT0.71
CPUA,B1CR60.72
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.73
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.73
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.72
TTXTENTOXINB1KMH0.74
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.7
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.72
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.76
ETRN-ETHYL RETINAMIDEA1ERB0.7
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.71
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.7
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.7
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.73
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.74