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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02317805

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE		H1JGU0.86
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.86
PHMPHENYLALANYLMETHANEA,I1PJP0.86
PHMPHENYLALANYLMETHANEA,B,C2J9J0.86
PHMPHENYLALANYLMETHANEA,B,C2JE40.86
AC01-PHENYLETHANONEA1ZK10.85
AC01-PHENYLETHANONEA1ZK40.85
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.84
BZQDIPHENYLMETHANONEA,B1GT50.82
BZQDIPHENYLMETHANONEA,B1DZP0.82
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.81
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.79
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.79
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.79
NFAPHENYLALANINE AMIDEA2A4O0.79
NFAPHENYLALANINE AMIDEA,B1XAE0.79
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.79
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.79
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.79
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
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.78
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.78
BHOBENZHYDROXAMIC ACIDA,B1GX20.78
BHOBENZHYDROXAMIC ACIDA1HSR0.78
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.78
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.78
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.78
BHOBENZHYDROXAMIC ACIDA3GCK0.78
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H		2BOY0.78
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.77
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.77
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.77
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.77
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.77
VK3MENADIONEA1TUV0.77
VK3MENADIONEA,B2QR20.77
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.76
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.76
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.75
MQ8MENAQUINONE 8C,H,L,M1EYS0.75
MQ9MENAQUINONE-9C,H,L,M3D380.75
MQ9MENAQUINONE-9C,H,L,M1VRN0.75
MQ9MENAQUINONE-9C,H,L,M2I5N0.75
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.75
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.75
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.75
MQ7MENAQUINONE-7C,H,L,M1PRC0.75
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.75
MQ7MENAQUINONE-7C,H,L,M5PRC0.75
MQ7MENAQUINONE-7C,H,L,M7PRC0.75
MQ7MENAQUINONE-7C,H,L,M2PRC0.75
MQ7MENAQUINONE-7C,H,L,M1R2C0.75
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.75
MQ7MENAQUINONE-7C,H,L,M3PRC0.75
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.75
MQ7MENAQUINONE-7C,H,L,M2JBL0.75
MQ7MENAQUINONE-7C,H,L,M6PRC0.75
3AB3-aminobenzamideA,B,C,D3GOY0.75
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.75
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.75
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.75
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.75
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.75
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.75
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		1QZV0.75
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.74
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.74
4PH4-methyl-L-phenylalanineB,C3BV90.74
HBXbenzaldehydeA,B3GDN0.74
APD3-METHYLPHENYLALANINEA,B,C1GMY0.74
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		B,C1GG60.74
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G6GCH0.74
0A9methyl L-phenylalaninateA1AY20.73
0A9methyl L-phenylalaninateI5ER10.73
0A9methyl L-phenylalaninateI,P1HDT0.73
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.73
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.73
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.73
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.73
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.73
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.73
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
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide		A,B3D4L0.72
HY1PHENYLACETALDEHYDED,H2I0S0.72
HY1PHENYLACETALDEHYDEA,B1D6Y0.72
HY1PHENYLACETALDEHYDEA,B1D6Z0.72
HY1PHENYLACETALDEHYDED,H2OK40.72
HY1PHENYLACETALDEHYDEA,B1D6U0.72
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.72
1LPTRANYLCYPROMINEA,B1OJB0.72
S2DN-BENZOYL-D-ALANINEA,B2JCI0.71
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.71
B2FPHENYLALANINE BORONIC ACIDA,P1P060.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.71
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.71
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
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.71
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71
HPEHOMOPHENYLALANINEA,B1B1H0.71
IOYP-IODO-D-PHENYLALANINEA1XBU0.7
ANQACENAPHTHENEQUINONEH,J1OAX0.7
PRA3-PHENYLPROPYLAMINEA1TNK0.7
PRA3-PHENYLPROPYLAMINEM1UTL0.7
PBN4-PHENYLBUTYLAMINEA1TNI0.7
PBN4-PHENYLBUTYLAMINEA1UTP0.7
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.7
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.7
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.7
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.7
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.7
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.7
3PL3-PHENYLPROPANALE1Y3G0.7
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.7
PHIIODO-PHENYLALANINEA1TF90.7
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.7
PHIIODO-PHENYLALANINEA1T6H0.7
PHIIODO-PHENYLALANINEA,B,C1NLU0.7
PHIIODO-PHENYLALANINEA,I1GA10.7
PHIIODO-PHENYLALANINEA,I1GA40.7
PHIIODO-PHENYLALANINEP1CZI0.7
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.7