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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00710197

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.72
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.83
BNFN-BENZYLFORMAMIDEA,B1U3U0.73
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.8
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.8
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.75
I4BISOBUTYLBENZENEA184L0.72
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.71
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.71
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
DPKDEPRENYLA,B2BYB0.82
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
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.75
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.7
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.75
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.78
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.77
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.77
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.72
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.72
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
BZZBENZYLHYDRAZINEA,B2E2V0.7
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.72
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.8
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.84
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.84
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.71
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.74
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.72
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.81
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.75
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.74
PRA3-PHENYLPROPYLAMINEA1TNK0.82
PRA3-PHENYLPROPYLAMINEM1UTL0.82
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.73
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.76
PBN4-PHENYLBUTYLAMINEA1TNI0.82
PBN4-PHENYLBUTYLAMINEA1UTP0.82
271N-methyl-1-phenylmethanamineX2RBT0.81
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.7
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.79
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.73
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.74
ABNBENZYLAMINED,H2HXC0.74
ABNBENZYLAMINEA,I1A860.74
ABNBENZYLAMINEA1UTN0.74
ABNBENZYLAMINEA1N6X0.74
ABNBENZYLAMINEA2BZA0.74
ABNBENZYLAMINEA2EUS0.74
ABNBENZYLAMINEA1N6Y0.74
ABNBENZYLAMINEA1UTJ0.74
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.7
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.7
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.72
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.74
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.75
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.75
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.86
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.7
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
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.76
CPUA,B1CR60.76
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.8
TTXTENTOXINB1KMH0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.76
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.8
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
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.74