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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02857977

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
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.78
FBA4-FLUOROBENZYLAMINEA1TNH0.78
PHLL-PHENYLALANINOLA,B1JOH0.71
PHLL-PHENYLALANINOLI3APR0.71
PHLL-PHENYLALANINOLA1DLZ0.71
PHLL-PHENYLALANINOLA1IH90.71
PHLL-PHENYLALANINOLA1OB40.71
PHLL-PHENYLALANINOLI2ER60.71
PHLL-PHENYLALANINOLA1R9U0.71
PHLL-PHENYLALANINOLA1OB70.71
PHLL-PHENYLALANINOLA,B1OB60.71
PHLL-PHENYLALANINOLA,B,C1AMT0.71
BZZBENZYLHYDRAZINEA,B2E2V0.75
S27N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-
4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID
A,B1B3D0.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.86
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.71
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.77
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.83
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.71
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.74
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.71
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.71
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.71
NFAPHENYLALANINE AMIDEA2A4O0.71
NFAPHENYLALANINE AMIDEA,B1XAE0.71
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.71
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.71
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.7
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.7
I4BISOBUTYLBENZENEA184L0.7
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.86
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.86
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.78
B2FPHENYLALANINE BORONIC ACIDA,P1P060.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.78
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.78
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.72
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.7
271N-methyl-1-phenylmethanamineX2RBT0.9
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.75
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.77
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.78
IDMINDOLINEA,B3CEP0.76
IDMINDOLINEA1AEK0.76
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.71
ABNBENZYLAMINED,H2HXC0.81
ABNBENZYLAMINEA,I1A860.81
ABNBENZYLAMINEA1UTN0.81
ABNBENZYLAMINEA1N6X0.81
ABNBENZYLAMINEA2BZA0.81
ABNBENZYLAMINEA2EUS0.81
ABNBENZYLAMINEA1N6Y0.81
ABNBENZYLAMINEA1UTJ0.81
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.81
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.81
264(phenylamino)acetonitrileA2RBN0.71
2631-(azidomethyl)-3-methylbenzeneX2RB20.78
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.76
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.7
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.7
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
34A3,4-DIMETHYLANILINEA1L4K0.72
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.7
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.75
PHAPHENYLALANINALA,B1OB20.71
PHAPHENYLALANINALV,Y,Z2WDG0.71
PHAPHENYLALANINALV,Y,Z2WDK0.71
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.71
PHAPHENYLALANINALP3SGA0.71
PHAPHENYLALANINALA,B,C,D,E,F1OB50.71
PHAPHENYLALANINALV,Y,Z2WDM0.71
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.71
PHAPHENYLALANINALA,B1KDV0.71
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.71
PHAPHENYLALANINALA,B1KDY0.71
PHAPHENYLALANINALV,Y,Z3FIC0.71
PHAPHENYLALANINALV,Y,Z2WDH0.71
PHAPHENYLALANINALA,B1KE20.71
PRA3-PHENYLPROPYLAMINEA1TNK0.8
PRA3-PHENYLPROPYLAMINEM1UTL0.8
PBN4-PHENYLBUTYLAMINEA1TNI0.8
PBN4-PHENYLBUTYLAMINEA1UTP0.8
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.79
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.75
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.85
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.85
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.85
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.85
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.71
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.73
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.73
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.85
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.85
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.85
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.85
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.85
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.76
PRY2-PROPYL-ANILINEA1OWY0.74
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.81
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.74
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.71
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.78
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.8
NYLN-ALLYL-ANILINEA1OVK0.73
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.79
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.78
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.85
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.85
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.76
BNFN-BENZYLFORMAMIDEA,B1U3U0.82
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.88
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.72
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.72
SRE(1S,4S)-4-(3,4-dichlorophenyl)-
N-methyl-1,2,3,4-tetrahydronaphthalen-
1-amine
A3GWU0.75
PHMPHENYLALANYLMETHANEA,I1PJP0.74
PHMPHENYLALANYLMETHANEA,B,C2J9J0.74
PHMPHENYLALANYLMETHANEA,B,C2JE40.74
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.72
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.82
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.82
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.82
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.71
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.71
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.85
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.85
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.72
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.72
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.72
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.74
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
CPUA,B1CR60.76
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.84
SK3(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-
1,2,3,4-TETROL
A2F7R0.7
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.81
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.71
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.7
DPKDEPRENYLA,B2BYB0.86
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.76
ISOPARA-ISOPROPYLANILINEA,B1ELC0.76
ISOPARA-ISOPROPYLANILINEA,B1ELB0.76
ISOPARA-ISOPROPYLANILINEA,B1ELA0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.87
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.87
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.87
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.81
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.72
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.7
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.8
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.73
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.82
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.82
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.81
PEA2-PHENYLETHYLAMINEA1TNJ0.81
PEA2-PHENYLETHYLAMINED,H2HKM0.81
PEA2-PHENYLETHYLAMINEA1UTO0.81
PEA2-PHENYLETHYLAMINEA,B1D6Y0.81
PEA2-PHENYLETHYLAMINEA,B1D6Z0.81
PEA2-PHENYLETHYLAMINEA,B1D6U0.81
PEA2-PHENYLETHYLAMINEA1UTM0.81
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.71
1MRN-METHYLANILINEX2OTZ0.71