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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02405353

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
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
ANCANTHRACEN-1-YLAMINEA,B1GT10.7
ANCANTHRACEN-1-YLAMINEA,B1HN20.7
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.75
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.83
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.83
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
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.7
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
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.74
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.72
CPUA,B1CR60.74
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.76
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.75
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.8
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.84
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.84
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
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
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.72
271N-methyl-1-phenylmethanamineX2RBT0.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.73
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.85
DPKDEPRENYLA,B2BYB0.74
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.82
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.71
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
SRE(1S,4S)-4-(3,4-dichlorophenyl)-
N-methyl-1,2,3,4-tetrahydronaphthalen-
1-amine
A3GWU0.72
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.74
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.74
AN3ANTHRACENEA,B2HMN0.7
AN3ANTHRACENEA,B2HMM0.7
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.83
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.83
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.83
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.83
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.79
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.77
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.7
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.7
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.78
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.71
PHMPHENYLALANYLMETHANEA,I1PJP0.72
PHMPHENYLALANYLMETHANEA,B,C2J9J0.72
PHMPHENYLALANYLMETHANEA,B,C2JE40.72
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
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.71
PEYPHENANTHRENEA,B2HML0.7
PEYPHENANTHRENEA,B2HMK0.7