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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01348933

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S2DN-BENZOYL-D-ALANINEA,B2JCI0.71
MQ8MENAQUINONE 8C,H,L,M1EYS0.74
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.81
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE		A,B2OLE0.72
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.72
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.73
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.72
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.84
BZQDIPHENYLMETHANONEA,B1GT50.8
BZQDIPHENYLMETHANONEA,B1DZP0.8
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM		A1E3Q0.74
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.71
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.71
MQ7MENAQUINONE-7C,H,L,M1PRC0.74
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.74
MQ7MENAQUINONE-7C,H,L,M5PRC0.74
MQ7MENAQUINONE-7C,H,L,M7PRC0.74
MQ7MENAQUINONE-7C,H,L,M2PRC0.74
MQ7MENAQUINONE-7C,H,L,M1R2C0.74
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.74
MQ7MENAQUINONE-7C,H,L,M3PRC0.74
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.74
MQ7MENAQUINONE-7C,H,L,M2JBL0.74
MQ7MENAQUINONE-7C,H,L,M6PRC0.74
P214-chloro-N-(3-methoxypropyl)-N-
[(3S)-1-(2-phenylethyl)piperidin-
3-yl]benzamide		A2VD40.71
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.7
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE		A,B2BUB0.73
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.78
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.75
MQ9MENAQUINONE-9C,H,L,M3D380.74
MQ9MENAQUINONE-9C,H,L,M1VRN0.74
MQ9MENAQUINONE-9C,H,L,M2I5N0.74
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.74
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.75
DFMN-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-
L-PHENYLALANINAMIDE		A2CMC0.7
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.75
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.73
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide		A,B3D4L0.74
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.7
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J		2BYS0.76
DPKDEPRENYLA,B2BYB0.73
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE		I,J2AJL0.75
AC01-PHENYLETHANONEA1ZK10.76
AC01-PHENYLETHANONEA1ZK40.76
BPO3-[(Z)-AMINO(IMINO)METHYL]-N-[2-
(4-BENZOYL-1-PIPERIDINYL)-2-OXO-
1-PHENYLETHYL]BENZAMIDE		A1EB20.71
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE		B,C1GGD0.71
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH		H1LHG0.71
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.78
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide		H,I2ZF00.73
419N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-
3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-
6-yl]-2,2-diphenylacetamide		A,B3F7H0.71
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.71
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.71
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.72
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.72
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.72
NFAPHENYLALANINE AMIDEA2A4O0.72
NFAPHENYLALANINE AMIDEA,B1XAE0.72
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.72
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.72
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.72
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide		B,D3DA90.75
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.76
FRFPHE-REDUCED-PHEA,I1GVX0.71
PPB1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-
PYRROLIDINE-2-CARBONYL]-AMINO}-
2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID		A1AUJ0.7
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.75
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G7GCH0.73
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.74
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.74
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.74
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.74
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		1QZV0.74
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.71
PHMPHENYLALANYLMETHANEA,I1PJP0.78
PHMPHENYLALANYLMETHANEA,B,C2J9J0.78
PHMPHENYLALANYLMETHANEA,B,C2JE40.78
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine		A2JJG0.72
PHAPHENYLALANINALA,B1OB20.72
PHAPHENYLALANINALV,Y,Z2WDG0.72
PHAPHENYLALANINALV,Y,Z2WDK0.72
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.72
PHAPHENYLALANINALP3SGA0.72
PHAPHENYLALANINALA,B,C,D,E,F1OB50.72
PHAPHENYLALANINALV,Y,Z2WDM0.72
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.72
PHAPHENYLALANINALA,B1KDV0.72
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.72
PHAPHENYLALANINALA,B1KDY0.72
PHAPHENYLALANINALV,Y,Z3FIC0.72
PHAPHENYLALANINALV,Y,Z2WDH0.72
PHAPHENYLALANINALA,B1KE20.72
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE		B2GMT0.73
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE		H1JGU0.8
R01(4'-{[ALLYL(METHYL)AMINO]METHYL}-
1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE		A,B,C1H350.79
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide		H,I2ZDV0.7
TTXTENTOXINB1KMH0.7
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
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.77
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.77
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.77
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.77
VK3MENADIONEA1TUV0.72
VK3MENADIONEA,B2QR20.72