MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00056107

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.95
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.89
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.89
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.89
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.89
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.89
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.89
ABN	BENZYLAMINE	D,H	2HXC	0.88
ABN	BENZYLAMINE	A,I	1A86	0.88
ABN	BENZYLAMINE	A	1UTN	0.88
ABN	BENZYLAMINE	A	1N6X	0.88
ABN	BENZYLAMINE	A	2BZA	0.88
ABN	BENZYLAMINE	A	2EUS	0.88
ABN	BENZYLAMINE	A	1N6Y	0.88
ABN	BENZYLAMINE	A	1UTJ	0.88
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.88
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.88
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.88
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.88
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.88
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.88
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.88
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.88
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.88
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.88
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.88
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.88
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.86
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.86
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.86
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.86
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.86
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.84
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.84
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.84
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.84
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.84
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.84
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.84
271	N-methyl-1-phenylmethanamine	X	2RBT	0.83
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.82
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.82
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.81
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.81
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.8
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.8
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.8
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.8
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.79
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.79
DPK	DEPRENYL	A,B	2BYB	0.79
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.79
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.79
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.79
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.79
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.79
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.79
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.79
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.79
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.79
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.79
PRY	2-PROPYL-ANILINE	A	1OWY	0.78
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.77
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.77
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.77
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.77
C2A	1-(3-CHLOROPHENYL)METHANAMINE	B,I	2C8Z	0.77
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	A	1OS0	0.77
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	E,I	4TMN	0.77
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	S	1CGH	0.77
C2B	1-(4-CHLOROPHENYL)METHANAMINE	D,H	2Q7Q	0.77
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.77
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.77
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.77
PHL	L-PHENYLALANINOL	A,B	1JOH	0.76
PHL	L-PHENYLALANINOL	I	3APR	0.76
PHL	L-PHENYLALANINOL	A	1DLZ	0.76
PHL	L-PHENYLALANINOL	A	1IH9	0.76
PHL	L-PHENYLALANINOL	A	1OB4	0.76
PHL	L-PHENYLALANINOL	I	2ER6	0.76
PHL	L-PHENYLALANINOL	A	1R9U	0.76
PHL	L-PHENYLALANINOL	A	1OB7	0.76
PHL	L-PHENYLALANINOL	A,B	1OB6	0.76
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.76
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.76
NFA	PHENYLALANINE AMIDE	A,B,C,D	2BTJ	0.76
NFA	PHENYLALANINE AMIDE	A,B,C,D,E,F	2EFX	0.76
NFA	PHENYLALANINE AMIDE	A,B,C,D	2VVJ	0.76
NFA	PHENYLALANINE AMIDE	A	2A4O	0.76
NFA	PHENYLALANINE AMIDE	A,B	1XAE	0.76
NFA	PHENYLALANINE AMIDE	A,B,C,D	2OGR	0.76
NFA	PHENYLALANINE AMIDE	A,B,C,D	1QA7	0.76
NFA	PHENYLALANINE AMIDE	A,B,C,D	2GW4	0.76
PHA	PHENYLALANINAL	A,B	1OB2	0.76
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.76
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.76
PHA	PHENYLALANINAL	1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z	1M90	0.76
PHA	PHENYLALANINAL	P	3SGA	0.76
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.76
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.76
PHA	PHENYLALANINAL	0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z	1KQS	0.76
PHA	PHENYLALANINAL	A,B	1KDV	0.76
PHA	PHENYLALANINAL	1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z	1Q86	0.76
PHA	PHENYLALANINAL	A,B	1KDY	0.76
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.76
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.76
PHA	PHENYLALANINAL	A,B	1KE2	0.76
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.76
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.76
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.76
GVQ	(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE	A	2UW8	0.76
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.75
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.75
34A	3,4-DIMETHYLANILINE	A	1L4K	0.75
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.75
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.74
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A	1QWC	0.74
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1FOI	0.74
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1QW5	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.74
BEN	BENZAMIDINE	A	2TIO	0.74
BEN	BENZAMIDINE	A	1J15	0.74
BEN	BENZAMIDINE	A,B	3BEU	0.74
BEN	BENZAMIDINE	T	1V2U	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3CF8	0.74
BEN	BENZAMIDINE	A	1S0R	0.74
BEN	BENZAMIDINE	A,B	1V16	0.74
BEN	BENZAMIDINE	A	1CC7	0.74
BEN	BENZAMIDINE	A	3BG8	0.74
BEN	BENZAMIDINE	A	1CC8	0.74
BEN	BENZAMIDINE	A	3PTB	0.74
BEN	BENZAMIDINE	A,B	1TRM	0.74
BEN	BENZAMIDINE	A	1ZHR	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	1NKZ	0.74
BEN	BENZAMIDINE	A	2BLV	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLP	0.74
BEN	BENZAMIDINE	H,I	3D49	0.74
BEN	BENZAMIDINE	H,L,T	2AER	0.74
BEN	BENZAMIDINE	A	1J14	0.74
BEN	BENZAMIDINE	A	1NSA	0.74
BEN	BENZAMIDINE	A	2AYW	0.74
BEN	BENZAMIDINE	A	1BRA	0.74
BEN	BENZAMIDINE	A,B,C,D	1A0J	0.74
BEN	BENZAMIDINE	B,C,D	2AST	0.74
BEN	BENZAMIDINE	A,B	2CKR	0.74
BEN	BENZAMIDINE	A	1LPU	0.74
BEN	BENZAMIDINE	A	1ZHM	0.74
BEN	BENZAMIDINE	A	1J8A	0.74
BEN	BENZAMIDINE	A,B	3BCX	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3CF9	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3D04	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLL	0.74
BEN	BENZAMIDINE	A	1AND	0.74
BEN	BENZAMIDINE	A	2TBS	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP2	0.74
BEN	BENZAMIDINE	T	1V2M	0.74
BEN	BENZAMIDINE	A	2EEK	0.74
BEN	BENZAMIDINE	H,I	2ZI2	0.74
BEN	BENZAMIDINE	T	1V2J	0.74
BEN	BENZAMIDINE	H	1KLI	0.74
BEN	BENZAMIDINE	A	1CE5	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3B7J	0.74
BEN	BENZAMIDINE	B,Y	2PKA	0.74
BEN	BENZAMIDINE	A	2VJ0	0.74
BEN	BENZAMIDINE	A	3B3J	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DOY	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP3	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLM	0.74
BEN	BENZAMIDINE	A	1ANB	0.74
BEN	BENZAMIDINE	A	1LO6	0.74
BEN	BENZAMIDINE	A	1LR4	0.74
BEN	BENZAMIDINE	A,B	1V1M	0.74
BEN	BENZAMIDINE	A	1ZHP	0.74
BEN	BENZAMIDINE	A	2J9N	0.74
BEN	BENZAMIDINE	A	2BMV	0.74
BEN	BENZAMIDINE	A,B	2CKS	0.74
BEN	BENZAMIDINE	A	2BLW	0.74
BEN	BENZAMIDINE	A	1J16	0.74
BEN	BENZAMIDINE	A,B	1V11	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP0	0.74
BEN	BENZAMIDINE	B	1RTF	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP1	0.74
BEN	BENZAMIDINE	A,B,C,D	2E58	0.74
BEN	BENZAMIDINE	A	2TRM	0.74
BEN	BENZAMIDINE	T	1V2V	0.74
BEN	BENZAMIDINE	A	1MBQ	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DOZ	0.74
BEN	BENZAMIDINE	A	2O8U	0.74
BEN	BENZAMIDINE	H	1DWB	0.74
BEN	BENZAMIDINE	B,C	2ASS	0.74
BEN	BENZAMIDINE	A	1ANE	0.74
BEN	BENZAMIDINE	H,I	2ZIQ	0.74
BEN	BENZAMIDINE	A	1BIT	0.74
BEN	BENZAMIDINE	A	2AIQ	0.74
BEN	BENZAMIDINE	A	2OQ5	0.74
BEN	BENZAMIDINE	A	1ANC	0.74
BEN	BENZAMIDINE	H	1JBU	0.74
BEN	BENZAMIDINE	A,B	2BPQ	0.74
BEN	BENZAMIDINE	A,B,C,D	2GNN	0.74
BEN	BENZAMIDINE	T	1V2S	0.74
BEN	BENZAMIDINE	A	1H4W	0.74
BEN	BENZAMIDINE	A	1OSS	0.74
BEN	BENZAMIDINE	A	1W80	0.74
BEN	BENZAMIDINE	A	1BTY	0.74
BEN	BENZAMIDINE	H,I	2ZFQ	0.74
BEN	BENZAMIDINE	A	1EAX	0.74
BEN	BENZAMIDINE	A	1L2E	0.74
BEN	BENZAMIDINE	A	1WRI	0.74
BEN	BENZAMIDINE	A,B	3BB8	0.74
BEN	BENZAMIDINE	A	2OXS	0.74
BEN	BENZAMIDINE	A	1DPO	0.74
BEN	BENZAMIDINE	T	1V2L	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.74
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine	A	2JJG	0.74
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.74
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3B2Q	0.74
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4T	0.74
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4R	0.74
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3EIU	0.74
BAM	BENZAMIDINE	U	1F5K	0.74
BAM	BENZAMIDINE	X	2BY8	0.74
BAM	BENZAMIDINE	B	2PSM	0.74
BAM	BENZAMIDINE	X	2BY9	0.74
BAM	BENZAMIDINE	A	1C1N	0.74
BAM	BENZAMIDINE	X	2BY6	0.74
BAM	BENZAMIDINE	H,I	1C5O	0.74
BAM	BENZAMIDINE	A	1XX4	0.74
BAM	BENZAMIDINE	A	1HJ8	0.74
BAM	BENZAMIDINE	A	1C5P	0.74
BAM	BENZAMIDINE	B	1C5Z	0.74
BAM	BENZAMIDINE	A,B	1ZVW	0.74
BAM	BENZAMIDINE	A	2ANW	0.74
BAM	BENZAMIDINE	A	2ANY	0.74
BAM	BENZAMIDINE	X	2BYA	0.74
BAM	BENZAMIDINE	A	1TIO	0.74
BAM	BENZAMIDINE	X	2BY5	0.74
BAM	BENZAMIDINE	X	2BY7	0.74
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.73
HPH	PHENYLALANINDIOL	I	1E5O	0.73
HPH	PHENYLALANINDIOL	A,B	1ODX	0.73
HPH	PHENYLALANINDIOL	A,B	1MTB	0.73
HPH	PHENYLALANINDIOL	A,B	2FGV	0.73
HPH	PHENYLALANINDIOL	A	1ODW	0.73
HPH	PHENYLALANINDIOL	A,B	2FGU	0.73
HPH	PHENYLALANINDIOL	A,B	1HXB	0.73
I4B	ISOBUTYLBENZENE	A	184L	0.73
TA2	(2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL	A,B	2IFR	0.73
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.73
ZYX	4-(2-AMINOETHYL)BENZENESULFONAMIDE	A	2NNG	0.72
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.72
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.72
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.72
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.72
CPU		A,B	1CR6	0.72
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2OUA	0.72
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B,C,D	2AJC	0.72
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	3PRO	0.72
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2PFE	0.72
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.71
PMI	(2-AMINO-2,3-DIHYDRO-1H-INDEN-2- YL)PHOSPHONIC ACID	A,B,C,D,E,F, G,H	2O7E	0.71
PYL	PHENYLETHANE	C	1B07	0.71
PYL	PHENYLETHANE	A,B	2VRM	0.71
PYL	PHENYLETHANE	A	1NHB	0.71
BHY	N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide	A,B	3BBR	0.71
N4B	N-BUTYLBENZENE	A	186L	0.71
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.71
PCS	PHENYLALANYLMETHYLCHLORIDE	B,D	1DLK	0.71
PCS	PHENYLALANYLMETHYLCHLORIDE	A	1XQX	0.71
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.71
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.71
FPR	PROPYLBENZENE	C	1RHK	0.71
MFG	(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN- 1-IMINE	A,B	2VZ2	0.71
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.71
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.7
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.7