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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00042887

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBPIBUPROFENA3FKX0.73
IBPIBUPROFENA,B2BXG0.73
IBPIBUPROFENA,B1EQG0.73
IBPIBUPROFENA,B,C2WD90.73
IBPIBUPROFENA2PWS0.73
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.76
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.7
DPND-PHENYLALANINEP1MCS0.72
DPND-PHENYLALANINEA1GOE0.72
DPND-PHENYLALANINEA2RM90.72
DPND-PHENYLALANINEA1SOC0.72
DPND-PHENYLALANINEB,C,E,F1SFQ0.72
DPND-PHENYLALANINEI1ABJ0.72
DPND-PHENYLALANINEP1DWE0.72
DPND-PHENYLALANINEI,M1HLT0.72
DPND-PHENYLALANINEA,H,L1J9C0.72
DPND-PHENYLALANINEI,T1TMB0.72
DPND-PHENYLALANINEA2JRY0.72
DPND-PHENYLALANINEA2SOC0.72
DPND-PHENYLALANINEA2YYF0.72
DPND-PHENYLALANINEI2HGT0.72
DPND-PHENYLALANINEA,D2Q3I0.72
DPND-PHENYLALANINEA,P1MCD0.72
DPND-PHENYLALANINEP1HAO0.72
DPND-PHENYLALANINEA,B,I1Z8J0.72
DPND-PHENYLALANINEA,B,C2PGQ0.72
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.72
DPND-PHENYLALANINEP1NRR0.72
DPND-PHENYLALANINEI1PPB0.72
DPND-PHENYLALANINEC,D,G,H1NU70.72
DPND-PHENYLALANINEI2HPP0.72
DPND-PHENYLALANINEB,C2OD30.72
DPND-PHENYLALANINEA1B0Q0.72
DPND-PHENYLALANINEB,C,E,F1NU90.72
DPND-PHENYLALANINEA,B,I1Z8I0.72
DPND-PHENYLALANINEH,I,J1TMU0.72
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.72
DPND-PHENYLALANINEA1GO90.72
DPND-PHENYLALANINEB,C,E,F1A0H0.72
DPND-PHENYLALANINEP1MCF0.72
DPND-PHENYLALANINEA2RME0.72
DPND-PHENYLALANINEH,I1TMT0.72
DPND-PHENYLALANINEI1ABI0.72
DPND-PHENYLALANINER1NRQ0.72
DPND-PHENYLALANINEB,C,F,G2A1D0.72
DPND-PHENYLALANINEA,B2Q330.72
DPND-PHENYLALANINEC,H,L1DAN0.72
DPND-PHENYLALANINEP1MCE0.72
DPND-PHENYLALANINEB,C,E,F2A450.72
DPND-PHENYLALANINEA2RMI0.72
DPND-PHENYLALANINEA,B,I1TQ70.72
DPND-PHENYLALANINEA1W7M0.72
DPND-PHENYLALANINEP1HAP0.72
DPND-PHENYLALANINEA,B1ORF0.72
DPND-PHENYLALANINEI1IHS0.72
DPND-PHENYLALANINEP1MCC0.72
DPND-PHENYLALANINEA2RMD0.72
DPND-PHENYLALANINEA2JQB0.72
DPND-PHENYLALANINEI2HPQ0.72
DPND-PHENYLALANINEC,E,F1SHH0.72
DPND-PHENYLALANINEA,I1CVR0.72
DPND-PHENYLALANINEL,P1AUT0.72
DPND-PHENYLALANINEP1MCI0.72
DPND-PHENYLALANINEH,I3F6U0.72
DPND-PHENYLALANINEA1BFW0.72
DPND-PHENYLALANINEH,I1HAI0.72
DPND-PHENYLALANINEB,C2THF0.72
DPND-PHENYLALANINEI1IHT0.72
DPND-PHENYLALANINEA,P1MCJ0.72
DPND-PHENYLALANINEA1TKH0.72
DPND-PHENYLALANINEC,H,L,T2FIR0.72
DPND-PHENYLALANINEA2FMZ0.72
DPND-PHENYLALANINEA1YL90.72
DPND-PHENYLALANINEI1HUT0.72
DPND-PHENYLALANINEI1FXY0.72
DPND-PHENYLALANINEA1YL80.72
DPND-PHENYLALANINEC,H,L1QFK0.72
DPND-PHENYLALANINEP1MCB0.72
HY1PHENYLACETALDEHYDED,H2I0S0.75
HY1PHENYLACETALDEHYDEA,B1D6Y0.75
HY1PHENYLACETALDEHYDEA,B1D6Z0.75
HY1PHENYLACETALDEHYDED,H2OK40.75
HY1PHENYLACETALDEHYDEA,B1D6U0.75
BHOBENZHYDROXAMIC ACIDA,B1GX20.75
BHOBENZHYDROXAMIC ACIDA1HSR0.75
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.75
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.75
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.75
BHOBENZHYDROXAMIC ACIDA3GCK0.75
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.75
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.72
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.72
0A9methyl L-phenylalaninateA1AY20.73
0A9methyl L-phenylalaninateI5ER10.73
0A9methyl L-phenylalaninateI,P1HDT0.73
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.73
I4BISOBUTYLBENZENEA184L0.7
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.75
PEA2-PHENYLETHYLAMINEA1TNJ0.75
PEA2-PHENYLETHYLAMINED,H2HKM0.75
PEA2-PHENYLETHYLAMINEA1UTO0.75
PEA2-PHENYLETHYLAMINEA,B1D6Y0.75
PEA2-PHENYLETHYLAMINEA,B1D6Z0.75
PEA2-PHENYLETHYLAMINEA,B1D6U0.75
PEA2-PHENYLETHYLAMINEA1UTM0.75
PHMPHENYLALANYLMETHANEA,I1PJP0.82
PHMPHENYLALANYLMETHANEA,B,C2J9J0.82
PHMPHENYLALANYLMETHANEA,B,C2JE40.82
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.71
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.71
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.71
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.71
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z
1QZV0.71
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.73
4PH4-methyl-L-phenylalanineB,C3BV90.75
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.83
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.83
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.83
NFAPHENYLALANINE AMIDEA2A4O0.83
NFAPHENYLALANINE AMIDEA,B1XAE0.83
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.83
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.83
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.83
1LPTRANYLCYPROMINEA,B1OJB0.8
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.7
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.74
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.74
B2FPHENYLALANINE BORONIC ACIDA,P1P060.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.74
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.74
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.7
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.75
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.75
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.73
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.73
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.74
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.74
BZQDIPHENYLMETHANONEA,B1GT50.71
BZQDIPHENYLMETHANONEA,B1DZP0.71
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.75
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.73
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.73
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.74
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.7
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.7
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.73
AC01-PHENYLETHANONEA1ZK10.74
AC01-PHENYLETHANONEA1ZK40.74
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.74
HPEHOMOPHENYLALANINEA,B1B1H0.7
PHAPHENYLALANINALA,B1OB20.79
PHAPHENYLALANINALV,Y,Z2WDG0.79
PHAPHENYLALANINALV,Y,Z2WDK0.79
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.79
PHAPHENYLALANINALP3SGA0.79
PHAPHENYLALANINALA,B,C,D,E,F1OB50.79
PHAPHENYLALANINALV,Y,Z2WDM0.79
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.79
PHAPHENYLALANINALA,B1KDV0.79
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.79
PHAPHENYLALANINALA,B1KDY0.79
PHAPHENYLALANINALV,Y,Z3FIC0.79
PHAPHENYLALANINALV,Y,Z2WDH0.79
PHAPHENYLALANINALA,B1KE20.79
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.76
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.75
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.77
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.77
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.73
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.71
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.71
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.71
BFLA,B1Q4G0.7
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.82
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.71
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.72
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.76
3AB3-aminobenzamideA,B,C,D3GOY0.71
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.76
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.77
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.7
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.75
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.73
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.74
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.74
APD3-METHYLPHENYLALANINEA,B,C1GMY0.73
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.72
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.71
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.74
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.7
3PL3-PHENYLPROPANALE1Y3G0.74
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.71