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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03307412

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.7
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.7
DPKDEPRENYLA,B2BYB0.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.74
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.78
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
I4BISOBUTYLBENZENEA184L0.7
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.74
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
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
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.7
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
OXEORTHO-XYLENEA,B3E0X0.7
OXEORTHO-XYLENEA188L0.7
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
FPRPROPYLBENZENEC1RHK0.72
271N-methyl-1-phenylmethanamineX2RBT0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.73
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.79
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.79
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.7
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.7
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.72
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.72
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.74
TTXTENTOXINB1KMH0.73
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.76
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
PRA3-PHENYLPROPYLAMINEA1TNK0.72
PRA3-PHENYLPROPYLAMINEM1UTL0.72
PBN4-PHENYLBUTYLAMINEA1TNI0.72
PBN4-PHENYLBUTYLAMINEA1UTP0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.73
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.7
CPUA,B1CR60.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.7
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.7
N4BN-BUTYLBENZENEA186L0.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.78
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.74